SMILES for Dual specificity mitogen-activated protein kinase kinase 1 [K97R]

100 SMILES Strings for Dual specificity mitogen-activated protein kinase kinase 1 [K97R]

Compound Name

SMILES String

BDBM200372

Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1Cl |r|

BDBM200373

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(C[C@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1Cl |r|

BDBM200374

COCCN1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200375

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CCO)CC1)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200376

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC2(C)COC2)CC1)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200377

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)S(C)(=O)=O)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200378

CC(O)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200379

CC(O)CN1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200380

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)S(=O)(=O)C1CC1)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200381

CC(C)S(=O)(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200382

CN(C)S(=O)(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200383

CN(C)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200384

CC(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200385

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC(N)=O)CC1)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200386

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200387

Cc1ccnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CCO)CC2)n1

BDBM200388

CC(CO)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200389

CC1(CCN(CCO)CC1)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200390

COc1cc(Oc2nccc(C)n2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CCO)CC1

BDBM200391

COc1cc(Oc2ncccn2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CCO)CC1

BDBM200392

COc1cc(Oc2nccc(C)n2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CC1)C(=O)C(C)O

BDBM200393

CC(O)C(=O)N1CCC(C)(CC1)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2nccc(C)n2)cc1Cl

BDBM200394

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)C(CO)CO)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200395

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC(CO)CO)CC1)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200396

COc1cc(Oc2nccc(C)n2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CC1)C(=O)CO

BDBM200397

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC2COC2)CC1)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200398

Cc1ccnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(=O)CO)n1

BDBM200399

CC(O)C(=O)N1CCC(C)(CC1)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200400

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1Cl

BDBM200401

CC(O)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2nccc(C)n2)cc1Cl

BDBM200402

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200403

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2nccc(C)n2)cc1Cl

BDBM200404

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)S(C)(=O)=O)-c1ccc(Oc2nccc(C)n2)cc1Cl

BDBM200405

CC1(CCN(CC1)C(=O)CO)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200406

C[C@H](O)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl |r|

BDBM200407

C[C@H](O)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2nccc(C)n2)cc1Cl |r|

BDBM200408

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CCO)CC1)-c1ccc(Oc2nccc(C)n2)cc1Cl

BDBM200409

COc1cc(Oc2nccc(C)n2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CC1)C(N)=O

BDBM200410

COc1cc(Oc2ncccn2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CC1)C(N)=O

BDBM200411

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CN)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200412

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CN)-c1ccc(Oc2nccc(C)n2)cc1Cl

BDBM323115

Cc1ccnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(CO)CCN(CC2)C(=O)CO)n1

BDBM200414

COCC(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200415

CC(F)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

BDBM323119

CC(F)C(=S)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200417

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cccc(CO)n2)cc1Cl

BDBM200418

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)NCC(F)(F)F)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200419

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(F)n2)cc1Cl

BDBM200420

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cccc(F)n2)cc1Cl

BDBM200421

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2ncc(F)c(C)n2)cc1Cl

BDBM200422

CC(=O)OCC(=O)N1CC[C@@H]([C@@H](F)C1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl |r|

BDBM323126

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(C[C@@H]1F)S(C)(=O)=O)-c1ccc(Oc2ncccn2)cc1Cl |r|

BDBM200424

Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(n2)C(F)(F)F)cc1Cl |r|

BDBM323128

COCC(=O)N1CCC([C@@H](F)C1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl |r|

BDBM200426

Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncc(F)c(C)n2)cc1Cl |r|

BDBM200427

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(n2)C2CC2)cc1Cl

BDBM200428

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCS(=O)(=O)CC1)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200429

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCOCC1F)-c1ccc(Oc2ncccn2)cc1Cl

BDBM323133

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC#N)C[C@H]1F)-c1ccc(Oc2nccc(C)n2)cc1Cl |r|

BDBM323134

Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(CC#N)CC1F)-c1ccc(Oc2nccc(C)n2)cc1Cl |r|

BDBM200431

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC#N)CC1)-c1ccc(Oc2cc(C)nc(n2)C#N)cc1Cl

BDBM200432

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC#N)CC1)-c1ccc(Oc2cc(=O)n(C)cn2)cc1Cl

BDBM323137

COc1cc(Oc2ncccn2)ccc1-c1cc2c3n(C4CCN(CC#N)C[C@H]4F)c(C)nc3cnc2cc1F |r|

BDBM323138

COc1cc(Oc2ncccn2)ccc1-c1cc2c3n([C@H]4CCN(CC#N)CC4F)c(C)nc3cnc2cc1F |r|

BDBM200434

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cccn(C)c2=O)cc1Cl

BDBM200435

CC1(CCN(CC1)C(N)=O)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200436

Cc1ccnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(N)=O)n1

BDBM200437

COc1cc(C)nc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(=O)CO)n1

BDBM200438

COCC(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2nccc(C)n2)cc1Cl

BDBM200439

Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1Cl |r|

BDBM200440

Cn1cnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(=O)CO)cc1=O

BDBM200441

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2nccc(C)n2)cc1F

BDBM200442

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1F

BDBM200443

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cc(=O)n(C)cn2)cc1Cl

BDBM200444

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2cccn(C)c2=O)cc1Cl

BDBM200445

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2cc(=O)n(C)cn2)cc1Cl

BDBM200446

Cn1cccc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(N)=O)c1=O

BDBM323152

Cc1nc2cnc3cc(F)c(cc3c2n1C1(C)CCN(CC1)C(N)=O)-c1ccc(Oc2nccc(C)n2)cc1C

BDBM200448

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1C

BDBM200449

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1

BDBM200450

Cc1ccnc(Oc2ccc(c(F)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(N)=O)n1

BDBM200451

CC1(CCN(CC1)C(N)=O)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1F

BDBM323157

C[C@H](O)C(=O)N1CCC(C)(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2cccn(C)c2=O)cc1Cl |r|

BDBM323158

Cc1nc2cnc3cc(F)c(cc3c2n1C1(C)CCN(CC1)C(N)=O)-c1ccc(Oc2nccn(C)c2=O)cc1Cl

BDBM200454

Cc1ccnc(Oc2ccc(c(F)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(=O)CO)n1

BDBM323160

Cc1nc2cnc3cc(F)c(cc3c2n1C1(C)CCN(CC#N)CC1)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200456

Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(CC#N)CC1F)-c1ccc(Oc2ncccn2)cc1Cl |r|

BDBM200457

Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)C1CCO1)-c1ccc(Oc2ncccn2)cc1Cl |r|

BDBM323164

COc1cc(Oc2ncccn2)ccc1-c1cc2c3n([C@H]4CCN(CC4F)C(=O)CO)c(C)nc3cnc2cc1F |r|

BDBM200460

Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(CO)n2)cc1Cl |r|

BDBM200461

Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1C |r|

BDBM200462

Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)COS(O)(=O)=O)-c1ccc(Oc2ncccn2)cc1Cl |r|

BDBM200463

Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1F |r|

BDBM200464

CC(=O)N1CC[C@@H]([C@@H](F)C1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl |r|

BDBM200465

Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(N)=O)-c1ccc(Oc2ncccn2)cc1Cl |r|

BDBM200466

C[C@H](O)C(=O)N1CC[C@@H]([C@@H](F)C1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl |r|

BDBM200467

Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CF)-c1ccc(Oc2ncccn2)cc1Cl

BDBM200468

Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CF)-c1ccc(Oc2ncccn2)cc1Cl |r|

BDBM200469

Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CCO)-c1ccc(Oc2ncccn2)cc1Cl |r|

BDBM200470

COc1ncnc(Oc2ccc(c(Cl)c2)-c2cc3c4n([C@H]5CCN(C[C@@H]5F)C(=O)CO)c(C)nc4cnc3cc2F)n1 |r|