SMILES for Lysine-specific histone demethylase 2

119 SMILES Strings for Lysine-specific histone demethylase 2

Compound Name

SMILES String

BDBM50278410

[H][C@]12Cc3cc(ccc3[C@@]1([H])[C@@H]2N)-c1ccccc1

BDBM50278412

[H][C@]12Cc3ccccc3[C@@]1([H])[C@]2([H])N[C@H]1CC[C@H](N)CC1

BDBM50278396

[H][C@]12Cc3cc(ccc3[C@@]1([H])[C@H]2N)-c1ccccc1

BDBM254603

NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|

BDBM50278409

[H][C@]12Cc3ccccc3[C@@]1([H])[C@@H]2NCc1cccnc1OC

BDBM50278411

[H][C@]12Cc3ccccc3[C@@]1([H])[C@@]2([H])N[C@H]1CC[C@H](N)CC1

BDBM50278439

[H][C@]12Cc3ccccc3[C@@]1([H])[C@@H]2NCC1CCNCC1

BDBM50278484

[H][C@]12Cc3ccccc3[C@@]1([H])[C@H]2NCC1CCNCC1

BDBM50113851

c1ccc(cc1)[C@@H]2C[C@H]2N

BDBM50278460

[H][C@]12Cc3ccccc3[C@@]1([H])[C@]2([H])N[C@@H]1CC[C@H](N)CC1

BDBM50278459

[H][C@]12Cc3ccccc3[C@@]1([H])[C@@]2([H])N[C@@H]1CC[C@H](N)CC1

BDBM50346585

NC1CC1c1cc(F)cc(F)c1OCc1ccccc1

BDBM50568521

N[C@H]1CCN(C1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1 |r|

BDBM50568522

CN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1

BDBM50568528

COc1ccc(Br)cc1CNC1CC11CCc2ccccc12

BDBM50568530

COc1ccc(CNC2CC22CCc3ccccc23)c(Cl)c1OC

BDBM50594951

CN1CCN(CC1)C(=O)NC1CC1c1cc(F)cc(F)c1OCc1ccccc1

BDBM50597527

N[C@@H]1C[C@@H]1c1ccc(Br)cc1 |r|

BDBM50464670

N[C@H]1C[C@@H]1c1ccc(Br)cc1 |r|

BDBM50597528

N[C@@H]1C[C@@H]1c1ccc(Br)c(F)c1 |r|

BDBM50597529

N[C@H]1C[C@@H]1c1ccc(Br)c(F)c1 |r|

BDBM50597530

N[C@@H]1C[C@@H]1c1ccc(Br)c(O)c1 |r|

BDBM50597531

N[C@H]1C[C@@H]1c1ccc(Br)c(O)c1 |r|

BDBM50597532

N[C@@H]1C[C@@H]1c1ccc(Br)cc1F |r|

BDBM50597533

N[C@H]1C[C@@H]1c1ccc(Br)cc1F |r|

BDBM50597534

N[C@@H]1C[C@@H]1c1ccc(Br)cc1C(F)(F)F |r|

BDBM50597535

N[C@H]1C[C@@H]1c1ccc(Br)cc1C(F)(F)F |r|

BDBM50597536

N[C@@H]1C[C@@H]1c1ccc(Br)c(F)c1F |r|

BDBM50597537

N[C@H]1C[C@@H]1c1ccc(Br)c(F)c1F |r|

BDBM50597538

N[C@@H]1C[C@@H]1c1cc(F)c(Br)cc1F |r|

BDBM50597539

N[C@H]1C[C@@H]1c1cc(F)c(Br)cc1F |r|

BDBM50597540

N[C@@H]1C[C@@H]1c1cc(F)c(Br)c(F)c1 |r|

BDBM50597541

N[C@H]1C[C@@H]1c1cc(F)c(Br)c(F)c1 |r|

BDBM50597542

N[C@@H]1C[C@@H]1c1cc(F)c(Br)cc1Cl |r|

BDBM50597543

N[C@H]1C[C@@H]1c1cc(F)c(Br)cc1Cl |r|

BDBM50597544

Cc1cc(Br)c(F)cc1[C@H]1C[C@H]1N |r|

BDBM50597545

Cc1cc(Br)c(F)cc1[C@H]1C[C@@H]1N |r|

BDBM50597546

N[C@@H]1C[C@@H]1c1c(F)cc(Br)cc1OCc1ccccc1 |r|

BDBM50597547

N[C@H]1C[C@@H]1c1c(F)cc(Br)cc1OCc1ccccc1 |r|

BDBM50597548

N[C@@H]1C[C@@H]1c1ccccc1F |r|

BDBM50597549

N[C@H]1C[C@@H]1c1ccccc1F |r|

BDBM50597550

N[C@@H]1C[C@@H]1c1cc(F)ccc1F |r|

BDBM50597551

N[C@H]1C[C@@H]1c1cc(F)ccc1F |r|

BDBM50597552

N[C@@H]1C[C@@H]1c1c(F)cccc1OCc1ccccc1 |r|

BDBM50597553

N[C@H]1C[C@@H]1c1c(F)cccc1OCc1ccccc1 |r|

BDBM50597554

N[C@@H]1C[C@@H]1c1c(F)c(F)ccc1OCc1ccccc1 |r|

BDBM50597555

N[C@H]1C[C@@H]1c1c(F)c(F)ccc1OCc1ccccc1 |r|

BDBM50597556

N[C@@H]1C[C@@H]1c1c(F)ccc(F)c1OCc1ccccc1 |r|

BDBM50597557

N[C@H]1C[C@@H]1c1c(F)ccc(F)c1OCc1ccccc1 |r|

BDBM50597558

N[C@@H]1C[C@@H]1c1ccccc1Oc1ccccc1 |r|

BDBM50597559

N[C@H]1C[C@@H]1c1ccccc1Oc1ccccc1 |r|

BDBM50597560

COc1ccc(cc1F)[C@H]1C[C@H]1N |r|

BDBM50597561

COc1ccc(cc1F)[C@H]1C[C@@H]1N |r|

BDBM50597562

CCOc1ccc(cc1F)[C@H]1C[C@H]1N |r|

BDBM50597563

CCOc1ccc(cc1F)[C@H]1C[C@@H]1N |r|

BDBM50597564

N[C@H]1C[C@@H]1c1ccc(c(F)c1)C(F)(F)F |r|

BDBM50597565

N[C@@H]1C[C@@H]1c1cc(F)c(Cl)cc1F |r|

BDBM50597566

N[C@H]1C[C@@H]1c1cc(F)c(Cl)cc1F |r|

BDBM50597567

COc1cccc(c1)-c1cc(F)c(cc1F)[C@H]1C[C@H]1N |r|

BDBM50597568

COc1cccc(c1)-c1cc(F)c(cc1F)[C@H]1C[C@@H]1N |r|

BDBM50603907

N[C@H]1CC[C@@H](CC1)NC1CC1c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(9.26,4.43,;7.93,3.66,;6.59,4.43,;5.26,3.66,;5.26,2.12,;6.59,1.35,;7.93,2.12,;3.93,1.35,;2.59,2.12,;1.82,3.46,;1.05,2.12,;-.28,1.35,;-.28,-.18,;-1.61,-.95,;-2.94,-.19,;-4.4,-.66,;-5.31,.58,;-4.4,1.83,;-2.94,1.35,;-1.61,2.12,;-4.8,-2.15,;-4.4,-3.64,;-3.31,-2.55,;-6.29,-2.55,;-6.69,-4.04,;-8.17,-4.43,;-9.26,-3.34,;-8.87,-1.86,;-7.38,-1.46,)|

BDBM50603908

N[C@H]1CC[C@H](CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CC1 |r,wU:4.4,wD:1.0,(9.93,-.47,;8.59,.3,;8.59,1.84,;7.26,2.61,;5.93,1.84,;4.59,2.61,;3.26,1.84,;1.92,2.61,;1.15,3.94,;.38,2.61,;-.95,1.84,;-.95,.31,;-2.27,-.46,;-3.6,.3,;-5.07,-.18,;-5.97,1.07,;-5.07,2.32,;-3.6,1.84,;-2.28,2.61,;-5.47,-1.66,;-5.07,-3.15,;-3.98,-2.06,;-6.96,-2.06,;-7.35,-3.55,;-8.84,-3.94,;-9.93,-2.86,;-9.53,-1.37,;-8.05,-.97,;5.93,.3,;7.26,-.47,)|

BDBM50603911

O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccccc1

BDBM50603915

O=S(=O)(N1CCc2cc(ccc12)C1CC1NCCC1CCNCC1)c1ccccc1

BDBM50603916

O=S(=O)(N1CCc2cc(ccc12)C1CC1NC1CC2(C1)CCNCC2)c1ccccc1

BDBM50603917

O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CNC1)c1ccccc1

BDBM50603918

CC1(CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CCNCC1

BDBM50603919

O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCN(Cc2ccccc2)CC1)c1ccccc1

BDBM50603920

O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccc(cc1)-c1ccccc1

BDBM50603921

O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccc2ccccc2c1

BDBM50603922

Clc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1

BDBM50603923

COc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1

BDBM50603924

FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1

BDBM50603925

CCS(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1

BDBM50603926

CS(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1

BDBM50603927

FC(F)(F)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1

BDBM50603928

O=S(=O)(C1CCCCC1)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1

BDBM50603929

O=C(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccccc1

BDBM50603930

CCCC(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1

BDBM50603931

CCC(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1

BDBM50603932

CCCCC(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1

BDBM50603933

CC(C)(C)C(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1

BDBM50603934

O=C(Cc1ccccc1)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1

BDBM50158869

OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|

BDBM50155579

N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|

BDBM50240772

N[C@@H]1C[C@H]1c1ccccc1 |r|

BDBM50647063

CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccccc23)cc1

BDBM50365463

CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|

BDBM50346864

NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1

BDBM50441978

Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)cc1

BDBM50441979

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2F)nn1

BDBM50445336

NC1CC1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 |r|

BDBM50121213

O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccccc1 |r|

BDBM50140043

O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|

BDBM50140044

Clc1ccc(CNC(=O)[C@H](CCCCNC2CC2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)cc1 |r|

BDBM50140045

FC(F)(F)c1cccc(CNC(=O)[C@H](CCCCNC2CC2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1 |r|

BDBM50151583

CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O

BDBM50151584

CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)COCCOCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O

BDBM50151585

CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O

BDBM50151586

CNNCCCC(NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O

BDBM50151587

BDBM50155580

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N

BDBM50155581

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@H]1C[C@@H]1N

BDBM50155763

N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)-c2ccoc2)cc1

BDBM50155764

N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(NC(=O)OCc3ccccc3)c2)cc1

BDBM50155765

N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOCC2)cc1

BDBM50155766

N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(c2)N2CCOC2=O)cc1

BDBM50155768

CN1CCC(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N

BDBM50155769

N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCOCC3)c(NC(=O)OCc3ccccc3)c2)cc1

BDBM50155770

N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(NC(=O)OCc3ccccc3)c(c2)N2CCOCC2)cc1

BDBM50155771

CN1CCN(CC1)c1ccc(cc1NC(=O)OCc1ccccc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N

BDBM50155772

N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCCCC3)c(NC(=O)OCc3ccccc3)c2)cc1

BDBM50155773

[H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:9.9,wD:11.13,4.4,1.0,(-4.65,6.17,;-4.67,5.14,;-4.65,3.62,;-5.99,2.87,;-7.32,3.66,;-8.39,3.05,;-7.3,5.2,;-5.95,5.95,;-3.34,4.36,;-3.36,2.83,;-4.13,1.49,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)|

BDBM50236360

Cn1c2ccsc2cc1C(=O)Nc3cccc(c3)COC

BDBM50236366

Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccc(OC3CCNCC3)cc2)c1

BDBM50236365

CN1CCC(CC1)Oc1ccc(OCc2cccc(NC(=O)c3cc4sccc4n3C)c2)cc1

BDBM50236441

COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r|

BDBM50236447

CCn1c2ccsc2cc1C(=O)Nc3cccc(c3COc4ccc(cc4)OC[C@@H]5CCNC5)COC

BDBM50236444

CCOCc1cccc(c1COc2ccc(cc2)OC[C@@H]3CCNC3)NC(=O)c4cc5c(n4C)ccs5