SMILES for Histone-lysine N-methyltransferase SETD7

116 SMILES Strings for Histone-lysine N-methyltransferase SETD7

Compound Name

SMILES String

CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12

N[C@@H](CCN(CC#Cc1cccc(c1)C(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1CCCN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@@H](C)C(N)=O |r|

BDBM50075073

c1cc(cc(c1)C(F)(F)F)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4

BDBM50009672

N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O

BDBM50033731

CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O |w:4.4|

BDBM26658

c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O

BDBM7459

c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O

BDBM50325671

c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O

BDBM50084978

COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O

BDBM50049391

c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O

BDBM7462

c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O

BDBM23411

Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1

BDBM50545335

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(o1)C1=CC(=O)C=CC1=O |c:26,t:22|

BDBM50545336

COC(=O)c1ccc(o1)C1=CC(=O)C=CC1=O |c:14,t:10|

BDBM24775

COC1=CC(=O)c2ccccc2C1=O |t:2|

BDBM50049066

c1ccc2c(c1)C(=O)C=C(C2=O)O

BDBM50545337

O=C(N1CCNCC1)c1ccc(cc1)-c1cccc(c1)C#N

BDBM50545338

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc(c1)C#N

BDBM50545339

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(cc1)C#N

BDBM50545340

CN(C)CCNC(=O)c1ccc(cc1)-c1cccc(c1)C#N

BDBM50545341

CN(C)CCNC(=O)c1ccc(cc1)-c1ccc(cc1)C#N

BDBM50545342

OC(=O)c1ccc(cc1)-c1cccc(c1)C#N

BDBM50060975

OC(=O)c1ccc(cc1)-c1ccc(cc1)C#N

BDBM50545343

COc1ccc(OC)c(c1)-c1ccc(CN2CCN(CC2)C(=O)OC(C)(C)C)c(N)c1

BDBM50545344

COc1ccc(OC)c(c1)-c1ccc(CN2CCOCC2)c(NS(=O)(=O)c2ccccc2)c1

BDBM50545345

COc1ccc(OC)c(c1)-c1ccc(CN2CCN(CC2)C(=O)OC(C)(C)C)cc1

BDBM50545346

COc1ccc(OC)c(c1)-c1ccc(CN2CCCC2)c(NS(=O)(=O)c2ccccc2)c1

BDBM50545347

COc1ccc(OC)c(c1)-c1ccc(CN2CCCC2)c(N)c1

BDBM50545348

COc1ccc(OC)c(c1)-c1ccc(CN2CCCC2)c(c1)[N+]([O-])=O

BDBM50545349

CC(C)(C)OC(=O)N1CCN(Cc2ccc(cc2NS(=O)(=O)c2ccc(Cl)cc2)C2=CC(=O)C=CC2=O)CC1 |c:35,t:31|

BDBM50545350

FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1cc(ccc1CN1CCOCC1)C1=CC(=O)C=CC1=O |c:34,t:30|

BDBM50545351

[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1cc(ccc1CN1CCOCC1)C1=CC(=O)C=CC1=O |c:33,t:29|

BDBM50545352

Clc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1CN1CCOCC1)C1=CC(=O)C=CC1=O |c:31,t:27|

BDBM50545353

Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1CN1CCOCC1)C1=CC(=O)C=CC1=O |c:31,t:27|

BDBM50545354

O=C1C=CC(=O)C(=C1)c1ccc(CN2CCOCC2)c(NS(=O)(=O)c2ccccc2)c1 |c:2,6|

BDBM50545355

CCCCS(=O)(=O)Nc1cc(ccc1CN1CCCC1)C1=CC(=O)C=CC1=O |c:26,t:22|

BDBM50545356

FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1cc(ccc1CN1CCCC1)C1=CC(=O)C=CC1=O |c:33,t:29|

BDBM50545357

Fc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1CN1CCCC1)C1=CC(=O)C=CC1=O |c:30,t:26|

BDBM50545358

Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1CN1CCCC1)C1=CC(=O)C=CC1=O |c:30,t:26|

BDBM50545359

COc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1CN1CCCC1)C1=CC(=O)C=CC1=O |c:31,t:27|

BDBM50545360

O=C1C=CC(=O)C(=C1)c1ccc(CN2CCCC2)c(NS(=O)(=O)c2ccccc2)c1 |c:2,6|

BDBM50545361

O=C(N1CCN(CC1)c1ccccn1)c1ccc(cc1)C1=CC(=O)C=CC1=O |c:27,t:23|

BDBM50545362

CC1CN(CCN1C(=O)OC(C)(C)C)C(=O)c1ccc(cc1)C1=CC(=O)C=CC1=O |c:28,t:24|

BDBM50545363

CC1CN(CCN1C(=O)c1ccc(cc1)C1=CC(=O)C=CC1=O)C(=O)OC(C)(C)C |c:21,t:17|

BDBM50545364

CS(=O)(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C1=CC(=O)C=CC1=O |c:24,t:20|

BDBM50545365

CCOC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C1=CC(=O)C=CC1=O |c:25,t:21|

BDBM50545366

COC(=O)c1ccc(cc1)C1=CC(=O)C=CC1=O |c:15,t:11|

BDBM50545367

Cc1ccc(cc1)C1=CC(=O)C=CC1=O |c:12,t:8|

BDBM50545368

Brc1ccc(cc1)C1=CC(=O)C=CC1=O |c:12,t:8|

BDBM50545369

Cc1ccc(cc1C)C1=CC(=O)C=CC1=O |c:13,t:9|

BDBM50545370

CC(C)c1ccc(cc1)C1=CC(=O)C=CC1=O |c:14,t:10|

BDBM50545371

FC(F)(F)c1cccc(c1)C1=CC(=O)C=CC1=O |c:15,t:11|

BDBM50545372

CCCCc1ccc(cc1)C1=CC(=O)C=CC1=O |c:15,t:11|

BDBM50545373

O=C(N1CCNCC1)c1ccc(o1)C1=CC(=O)C=CC1=O |c:19,t:15|

BDBM50545374

CN(C)CCNC(=O)c1ccc(cc1)C1=CC(=O)C=CC1=O |c:19,t:15|

BDBM50551136

CC(C)(C)c1ccc(NC(=O)c2ncn(CC(=O)NCc3ccc4c(N)nccc4c3)n2)cc1

BDBM50597858

N[C@H](CC[C@H](N)C(O)=O)C[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50597859

CCCCCCNCCN(CC[C@H](N)C(O)=O)C[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50124905

COC(=O)c1c(N)sc(C(=O)Nc2cccc(c2)[N+]([O-])=O)c1C

BDBM50590375

CN(C)C1CCC(CC1)C1(C)Oc2c(O1)c(C)c(cc2Br)C(=O)NCc1c(C)cc(C)[nH]c1=O |(2.94,-8.67,;1.46,-8.27,;.37,-9.36,;1.06,-6.79,;2.15,-5.7,;1.75,-4.21,;.26,-3.81,;-.83,-4.9,;-.43,-6.39,;-.14,-2.32,;1.4,-2.32,;-1.67,-2.17,;-1.99,-.66,;-.66,.11,;.49,-.92,;-.66,1.66,;.67,2.43,;-2,2.43,;-3.34,1.66,;-3.34,.11,;-4.67,-.66,;-2,3.97,;-3.33,4.74,;-.66,4.74,;-.66,6.28,;.67,7.05,;.67,8.59,;-.66,9.36,;2,9.36,;3.34,8.59,;4.67,9.36,;3.34,7.05,;2,6.28,;2,4.74,)|

BDBM588052

CN(C)[C@H]1CC[C@@H](CC1)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(C)cc(C)[nH]c1=O |r,wU:6.6,wD:9.10,3.2,(5.78,-4.8,;4.69,-5.89,;5.09,-7.38,;3.2,-5.49,;2.8,-4.01,;1.32,-3.61,;.23,-4.7,;.63,-6.18,;2.11,-6.58,;-1.26,-4.3,;-2.03,-5.63,;-2.79,-4.14,;-3.11,-2.63,;-1.78,-1.86,;-.63,-2.89,;-1.78,-.32,;-.44,.45,;-3.11,.45,;-4.45,-.32,;-4.45,-1.86,;-5.78,-2.63,;-3.11,1.99,;-4.45,2.76,;-1.78,2.76,;-1.78,4.3,;-.44,5.07,;-.44,6.61,;-1.78,7.38,;.89,7.38,;2.22,6.61,;3.56,7.38,;2.22,5.07,;.89,4.3,;.89,2.76,)|

BDBM50652922

N[C@H]1CC[C@H](S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)c2cc(C4CC4)on2)C3)CC1

BDBM378654

O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cn(nn1)C1CC1

BDBM378802

c1cc(ccc1Cn2cc(cn2)CN3CC(C3)NC(=O)c4cn(nn4)C5CC5)Cl

BDBM50075071

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50653008

O=C([C@H](Cc1cccc(C(F)(F)F)c1)NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)N1CCCC1

BDBM50653009

O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)NCCOCCOCCOCCOCCC(=O)NCCCCCCn1cc(COc2ccc(C(=O)c3ccc(C[C@@H](NS(=O)(=O)c4cc(F)c5c(c4)CCNC5)C(=O)N4CCCC4)cc3)cc2)nn1

BDBM50311688

CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1OC)C(F)(F)F

BDBM50300041

C[N@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)C)OC)OCCCN(C)C

BDBM50323813

COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN(C)C)N1CCCN(C)CC1

BDBM50346710

Nc1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1

BDBM50347712

Oc1ccc(C=C2CN(CC(=O)c3ccccc3)CC(=Cc3ccc(O)c(Br)c3)C2=O)cc1Br |w:20.21,5.4|

BDBM50347705

Oc1ccc(\C=C2/CN(Cc3cccc(Cl)c3)C\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br

BDBM50347709

Cc1ccccc1CN1C\C(=C/c2ccc(O)c(Br)c2)C(=O)\C(C1)=C\c1ccc(O)c(Br)c1

BDBM50347704

Cc1cccc(CN2C\C(=C/c3ccc(O)c(Br)c3)C(=O)\C(C2)=C\c2ccc(O)c(Br)c2)c1

BDBM50347706

Cc1ccc(CN2C\C(=C/c3ccc(O)c(Br)c3)C(=O)\C(C2)=C\c2ccc(O)c(Br)c2)cc1

BDBM50347711

Oc1ccc(\C=C2/CN(Cc3ccccc3Cl)C\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br

BDBM50347708

Oc1ccc(\C=C2/CN(Cc3ccc(Cl)cc3)C\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br

BDBM50347707

Oc1ccc(\C=C2/CN(CCc3ccccc3)C\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br

BDBM50347703

Oc1ccc(\C=C2/CN(Cc3ccccc3)C\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br

BDBM50347710

Oc1ccc(\C=C2/CN(CCCc3ccccc3)C\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br

BDBM50353131

COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C

BDBM50378739

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N

BDBM50400778

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccnc(c1)N1CCN(C)CC1

BDBM50400781

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(C)CC1

BDBM50400779

CC(C)n1ncc2c(cc(cc12)-c1ccc(nc1)N1CCN(C)CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O

BDBM50001750

OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1

BDBM50031317

OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12

BDBM50051117

COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1

BDBM50063670

N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1cc([nH]n1)-c1ccccc1 |r|

BDBM50075101

CCCN[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

BDBM50124897

Cc1cc(co1)C(=O)Nc1cccc(c1)[N+]([O-])=O

BDBM50124898

Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc(c1)[N+]([O-])=O

BDBM50124899

[O-][N+](=O)c1cccc(NC(=O)c2ccc3OCOc3c2)c1

BDBM50124900

COc1ccc(NC(=O)c2cccc(c2)[N+]([O-])=O)cc1OC

BDBM50124901

CCOC(=O)c1c(N)sc(C(=O)Nc2cccc(c2)[N+]([O-])=O)c1C

BDBM50124902

CC(C)COC(=O)c1c(N)sc(C(=O)Nc2cccc(c2)[N+]([O-])=O)c1C

BDBM50124903

Cc1c(sc(N)c1C(=O)OC(N)=O)C(=O)Nc1cccc(c1)[N+]([O-])=O

BDBM50124904

CCOC(=O)c1c(N)sc(C(=O)Nc2cccc(c2)C#N)c1C

BDBM50017721

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|

BDBM50173504

[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:18|

BDBM50173505

[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:21|

BDBM50173506

[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:17|

BDBM50187207

CN1CCC(CC1)OC1c2ccccc2Sc2ccccc12

BDBM50187208

CN1CCC(CC1)OC1c2ccccc2Oc2ccccc12

BDBM50187209

CN1CCC(CC1)OC1c2ccccc2C=Cc2ccccc12 |c:17|

BDBM50187210

CN1CCN(CC1)C1c2ccccc2Sc2ccccc12

BDBM50187211

CN1CCN(CC1)C1c2ccccc2Oc2ccccc12

BDBM50187212

CN1CCN(CC1)C1c2ccccc2C=Cc2ccccc12 |c:16|

BDBM50097226

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1

BDBM50097215

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-c2ccccc-12

BDBM50097224

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccccc2-[#16]-c2ccccc-12

BDBM50097216

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccccc2-[#8]-c2ccccc-12

BDBM50097222

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12

BDBM50238541

COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1