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137 SMILES Strings for JAK1 (aa866-1154)

Compound NameSMILES String
BDBM128101 CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
BDBM103727 O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50311017 O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50355501 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
BDBM50402074 CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
BDBM50021655 CC[C@@](C)(Nc1ccnc(n1)-c1c[nH]c2ncccc12)C(=O)NCC(F)(F)F |r|
BDBM50021656 CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
BDBM147692 NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1[N+]#[C-])N1CCC1 |r|
BDBM228640 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(N)(=O)=O |r|
BDBM228641 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C(=O)Nc1nccs1 |r|
BDBM228642 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C(=O)NC1[C@H](O)Cc2ccccc12 |r|
BDBM228643 CN([C@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ncc(cn1)C#N
BDBM228644 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(C#N)c(F)c1 |r|
BDBM228645 CNS(=O)(=O)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12 |r|
BDBM228683 CN([C@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)-c1ccncc1
BDBM228684 CN([C@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccncn1
BDBM228685 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(C#N)c(C)n1
BDBM228686 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)-c1nnn[nH]1
BDBM228687 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C(=O)NC[C@H](O)c1ccccc1
BDBM228688 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(NS(=O)(=O)C2=CCCS2)cn1 |t:27|
BDBM228689 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(NS(=O)(=O)c2cccnc2)cn1
BDBM228690 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(NS(C)(=O)=O)cn1
BDBM228691 CC(C)S(=O)(=O)Nc1ccc(nc1)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
BDBM228692 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(NS(=O)(=O)Cc2ccccc2F)cn1
BDBM228693 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)N[C@H]1[C@H](O)Cc2ccccc12
BDBM228694 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC1CC1
BDBM228695 COCCNS(=O)(=O)c1ccc(nc1)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
BDBM228696 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC(C)(C)C
BDBM228697 CNS(=O)(=O)c1ccc(nc1)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
BDBM228698 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC[C@@H]1CCCO1
BDBM228699 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC1COC1
BDBM228700 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NCCO
BDBM228701 C[C@H](O)CNS(=O)(=O)c1ccc(nc1)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
BDBM228702 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC1CCC[C@@H]1O
BDBM228703 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)N1CCCC1
BDBM228704 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)N1CCNCC1
BDBM228705 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)N1CCOCC1
BDBM228706 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)Nc1ccc(F)cc1
BDBM228707 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NCc1ccc(F)cc1
BDBM228708 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC1CCOCC1
BDBM228661 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)CC#N
BDBM228662 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)Nc1cccc(c1)C#N
BDBM228663 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)CCc1c(Cl)cccc1Cl
BDBM228664 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(cc1)C(F)(F)F
BDBM228665 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(Cl)cc1
BDBM228666 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)NC1CCOCC1
BDBM228667 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)N1CCCC1
BDBM228668 COc1nc(ccc1C#N)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
BDBM228669 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(Cl)cn1
BDBM228670 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(Br)cn1
BDBM228671 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cc(C)c(cn1)[N+]([O-])=O
BDBM228672 COc1cc2ncnc(N(C)[C@@H]3CCN(C3)c3ncnc4[nH]ccc34)c2cc1OC
BDBM228673 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N
BDBM228674 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cc(F)c(C#N)c(F)c1
BDBM228675 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cccc(c1)C#N
BDBM228676 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccnc(c1)C#N
BDBM228677 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1)S(=O)(=O)C(F)(F)F
BDBM228678 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C(F)(F)F
BDBM228679 N#Cc1ccc(nc1)N(CC1CC1)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
BDBM228680 CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cc2cn[nH]c2cn1
BDBM228681 C#CCN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cnc(cn1)C#N
BDBM228682 C#CCN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N
BDBM294911 C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r|
BDBM294912 NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1[N+]#[C-] |r|
BDBM294915 NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1[N+]#[C-])N1CCC1 |r|
BDBM294916 O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(nc4)C#N)cc3)n2n1)C1CC1
BDBM264237 C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2C)n1 |r|
BDBM264238 CCn1cc(Nc2ncc(C)c(n2)-c2c[nH]c3c(NC(=O)[C@@H](C)N4CCN(C)CC4)cccc23)c(OC)n1 |r|
BDBM264239 CCOc1nn(CC)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
BDBM264240 COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1 |r|
BDBM264241 COC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1 |r|
BDBM264242 CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](CC)N3CCN(C)CC3)cccc12 |r|
BDBM264243 CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@H](CC)N3CCN(C)CC3)cccc12 |r|
BDBM264177 COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@@H]3C)cccc12 |r|
BDBM264178 COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@H](C)C3)cccc12 |r|
BDBM264179 COCCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F |r|
BDBM264180 CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F |r|
BDBM264181 COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12 |r|
BDBM264182 COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12 |r|
BDBM264183 COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@@H]3C)cccc12 |r|
BDBM264184 COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@H](C)N3CCN(C)C[C@@H]3C)cccc12 |r|
BDBM264185 CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(CC)CC3)cccc12 |r|
BDBM264186 CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(CCOC)CC3)cccc12 |r|
BDBM264187 CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@@H]3C)cccc12 |r|
BDBM264188 CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@H](C)N3CCN(C)C[C@@H]3C)cccc12 |r|
BDBM264189 CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12 |r|
BDBM264190 CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@H](C)N3CCN(C)[C@@H](C)C3)cccc12 |r|
BDBM264191 CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12 |r|
BDBM264192 CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@H](C)C3)cccc12 |r|
BDBM264193 COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12 |r|
BDBM264194 COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(CCO)CC3)cccc12 |r|
BDBM264195 CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
BDBM264196 COCCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
BDBM264197 COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@H](C)C3)cccc12 |r|
BDBM264198 COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@@H]3C)cccc12 |r|
BDBM264199 CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(CC)CC3)cccc12 |r|
BDBM264200 CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(CCOC)CC3)cccc12 |r|
BDBM264201 CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@@H]3C)cccc12 |r|
BDBM264202 CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12 |r|
BDBM264203 CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@H](C)C3)cccc12 |r|
BDBM264204 COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
BDBM264205 COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12 |r|
BDBM264206 COCCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1 |r|
BDBM264207 CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1 |r|
BDBM264208 COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12 |r|
BDBM264209 COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@H](C)C3)cccc12 |r|
BDBM264210 CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12 |r|
BDBM264211 CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@H](C)N3CCN(C)[C@@H](C)C3)cccc12 |r|
BDBM264212 COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
BDBM264213 COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@H](C)N3CCN(C)CC3)cccc12 |r|
BDBM264214 COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
BDBM264215 CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
BDBM264216 COc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
BDBM264217 COc1nn(C)cc1Nc1ncc(Br)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
BDBM264218 COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12 |r|
BDBM264219 CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
BDBM264220 CCOc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
BDBM264221 C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1C |r|
BDBM264222 C[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1C |r|
BDBM264223 CC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
BDBM264224 CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
BDBM264225 COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
BDBM264226 COC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
BDBM264227 CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1 |r|
BDBM264228 CC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1 |r|
BDBM264229 CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
BDBM264230 CC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
BDBM264231 CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F |r|
BDBM264232 CC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F |r|
BDBM264233 COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
BDBM264234 COC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
BDBM264235 CCc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
BDBM264236 C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
BDBM313401 CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](COC)N3CCN(C)CC3)cccc12 |r|
BDBM313402 CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@H](COC)N3CCN(C)CC3)cccc12 |r|