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Q8N884 | CGAS_HUMAN | Cyclic GMP-AMP synthase (CGAS)

3D structures mapped by conservation among orthologs

[ Domain: "PAP/OAS1 substrate-binding domain" // Mab-21_C ]

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[ Domain: "Nucleotidyltransferase" // Mab-21_N ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL323197 OBDepict CH 3 O OH O O CH 3 H 3 C OH HO H 3 C CH 3 IC50 = 4.0 nM 410.47 COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C Homo sapiens CHEMBL4373771 single protein format
CHEMBL4448176 OBDepict OH N O N H Cl Cl N NH 2 IC50 = 10.2 nM 391.26 Nc1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CO)CC4)cn1 Homo sapiens CHEMBL4373755 single protein format
CHEMBL577784 OBDepict O N N H NH N N NH I N H O S IC50 = 60.0 nM 591.48 O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1 Homo sapiens CHEMBL4031182 cell-based format
CHEMBL4517045 OBDepict O S N H 3 C O Br O F OH N N N H N IC50 = 500.0 nM 546.38 CN1C(=O)S/C(=Cc2cc(OCc3cnc(NCc4cccnc4)nc3)c(O)c(F)c2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4537996 OBDepict H 2 N N S O O Br S N N O N O CH 3 H 2 N IC50 = 500.0 nM 535.41 CN1C(=O)S/C(=Cc2cc(OCc3cnc(N)nc3)c(Oc3cnc(N)s3)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4460002 OBDepict O S N H 3 C O Br O HO N N N N IC50 = 500.0 nM 488.32 CN1C(=O)S/C(=Cc2cc(OCc3cnc(-n4ccnc4)nc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4465235 OBDepict O S N CH 3 O Br O F HO N N H 2 N IC50 = 500.0 nM 495.33 CN1C(=O)S/C(=Cc2cc(OCc3cnc(N)nc3C3CC3)c(O)c(F)c2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4436372 OBDepict O S N H 3 C O Br O OH CH 3 N N IC50 = 500.0 nM 436.29 CC(Oc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)cc1O)c1cncnc1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4556780 OBDepict O S N H 3 C O Br O HO N N N IC50 = 500.0 nM 499.35 CN1C(=O)S/C(=Cc2cc(OCc3cnc(-c4ccccn4)nc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL1288476 OBDepict O N H N H O N IC50 = 500.0 nM 189.17 O=C1NC(=O)/C(=C/c2ccncc2)N1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4483323 OBDepict CH O OH Br S O N O H 3 C IC50 = 500.0 nM 368.21 C#CCOc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4474744 OBDepict CH 3 N O S O Br O H 3 C HO IC50 = 500.0 nM 358.21 CCN1C(=O)S/C(=Cc2cc(OC)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4553894 OBDepict CH 3 O OH Br S O IC50 = 500.0 nM 363.23 COc1cc(/C=C2Sc3ccccc3C2=O)c(Br)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4443251 OBDepict O S N H 3 C O Br O OH N N N H N IC50 <= 500.0 nM 528.39 CN1C(=O)S/C(=Cc2cc(OCc3cnc(NCc4ccccn4)nc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4573520 OBDepict CH 3 O OH Br S O N N IC50 = 500.0 nM 365.21 COc1cc(/C=C2Sc3ncncc3C2=O)c(Br)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4528559 OBDepict O S N H 3 C O Br O HO N IC50 = 500.0 nM 421.27 CN1C(=O)S/C(=Cc2cc(OCc3ccncc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4464411 OBDepict O S N H 3 C O Br O OH N N H O N IC50 = 500.0 nM 541.38 CN1C(=O)S/C(=Cc2cc(OCc3ccc(NC(=O)c4cccnc4)nc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4454116 OBDepict H 3 C HO Br S O N O CH 3 IC50 = 500.0 nM 342.21 CCc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4535668 OBDepict CH 3 O HN S Br O O F F F S O N O CH 3 IC50 = 500.0 nM 475.26 COc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)cc1NS(=O)(=O)C(F)(F)F Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4469497 OBDepict H 3 C O HN S Br O O N S H 2 N S O N O CH 3 IC50 = 500.0 nM 505.4 COc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)cc1NS(=O)(=O)c1csc(N)n1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4473195 OBDepict H 3 C O HO CH 3 S O N O CH 3 IC50 = 500.0 nM 279.32 COc1cc(/C=C2SC(=O)N(C)C2=O)c(C)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4445298 OBDepict H N Br S O N O CH 3 IC50 = 500.0 nM 337.2 CN1C(=O)S/C(=Cc2cc3cc[nH]c3cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4542752 OBDepict O S N H 3 C O Br O HO N H IC50 = 500.0 nM 459.32 CN1C(=O)S/C(=Cc2cc(OCc3cccc4[nH]ccc34)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4562036 OBDepict H 3 C S HO Br S O N O CH 3 IC50 = 500.0 nM 360.25 CSc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4454602 OBDepict O S N H 3 C O Br O OH N N N H N IC50 <= 500.0 nM 528.39 CN1C(=O)S/C(=Cc2cc(OCc3cnc(NCc4cccnc4)nc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4436575 OBDepict Br OH O S O F F F N IC50 = 500.0 nM 418.19 O=C1/C(=C/c2cc(OC(F)(F)F)c(O)cc2Br)Sc2ncccc21 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4453365 OBDepict CH 3 O OH CH 3 S O N IC50 = 500.0 nM 299.35 COc1cc(/C=C2Sc3ncccc3C2=O)c(C)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4450901 OBDepict O S N H 3 C O Br O HO N N HN IC50 = 500.0 nM 505.39 CN1C(=O)S/C(=Cc2cc(OCc3cnc(C4CCNCC4)nc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4519002 OBDepict O S N H 3 C O Br O OH N H O IC50 = 500.0 nM 423.24 CN1C(=O)S/C(=Cc2cc(Oc3ccc(=O)[nH]c3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4592540 OBDepict O S N H 3 C O Br O F HO O N N H 2 N IC50 = 500.0 nM 483.28 CN1C(=O)S/C(=Cc2cc(OCC(=O)c3cnc(N)nc3)c(O)c(F)c2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4458779 OBDepict H 2 N N N O HO Br S O N NH IC50 = 500.0 nM 446.29 Nc1ncc(COc2cc(/C=c3sc4nccn4c3=O)c(Br)cc2O)cn1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4542967 OBDepict NH 2 N N O H 3 C HO F Br S O N HN IC50 = 500.0 nM 478.3 CC(Oc1cc(/C=c2sc3nccn3c2=O)c(Br)c(F)c1O)c1cnc(N)nc1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4473019 OBDepict H 3 C O HO Br S O N O CH 3 IC50 <= 500.0 nM 344.19 COc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4450087 OBDepict H 3 C O HO Cl S O N O CH 3 IC50 <= 500.0 nM 299.74 COc1cc(/C=C2SC(=O)N(C)C2=O)c(Cl)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4588539 OBDepict CH 3 O OH Br S O N O H 3 C IC50 <= 500.0 nM 358.21 CCOc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4553806 OBDepict O S N H 3 C O Br O OH N N N H N IC50 <= 500.0 nM 528.39 CN1C(=O)S/C(=Cc2cc(OCc3cnc(NCc4ccncc4)nc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4463409 OBDepict H 3 C O HO Br S O N S CH 3 IC50 <= 500.0 nM 360.25 COc1cc(/C=C2SC(=S)N(C)C2=O)c(Br)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4441843 OBDepict CH 3 O OH Br S O N IC50 <= 500.0 nM 364.22 COc1cc(/C=C2Sc3ncccc3C2=O)c(Br)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4524780 OBDepict CH 3 O OH Cl Br S O N IC50 <= 500.0 nM 398.67 COc1cc(/C=C2Sc3ncccc3C2=O)c(Br)c(Cl)c1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4588090 OBDepict CH 3 O OH Br S O N F IC50 <= 500.0 nM 382.21 COc1cc(/C=C2Sc3ncc(F)cc3C2=O)c(Br)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4471106 OBDepict CH 3 O OH Br S O N IC50 <= 500.0 nM 364.22 COc1cc(/C=C2Sc3cnccc3C2=O)c(Br)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4528224 OBDepict O S N H 3 C O Br O OH N N H O N IC50 <= 500.0 nM 541.38 CN1C(=O)S/C(=Cc2cc(OCc3ccc(NC(=O)c4ccncc4)nc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4472128 OBDepict H 3 C O HO F Br S O N O CH 3 IC50 <= 500.0 nM 362.18 COc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)c(F)c1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4474678 OBDepict H 3 C O HO I S O N O CH 3 IC50 <= 500.0 nM 391.19 COc1cc(/C=C2SC(=O)N(C)C2=O)c(I)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4562426 OBDepict O S N H 3 C O Br O HO N N N H IC50 <= 500.0 nM 461.3 CN1C(=O)S/C(=Cc2cc(OCc3ccnc4[nH]cnc34)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4436974 OBDepict OH Br S O N IC50 <= 500.0 nM 334.19 O=C1/C(=C/c2ccc(O)cc2Br)Sc2ncccc21 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4522749 OBDepict O S N H 3 C O Br O OH N N N H N IC50 <= 500.0 nM 514.36 CN1C(=O)S/C(=Cc2cc(OCc3cnc(Nc4ccncc4)nc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4447964 OBDepict OH O Br S O N N IC50 <= 500.0 nM 441.31 O=C1/C(=C/c2cc(OCc3ccncc3)c(O)cc2Br)Sc2ncccc21 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4458107 OBDepict OH O Br S N NH 2 N O N IC50 <= 500.0 nM 457.31 Nc1ncncc1COc1cc(/C=C2Sc3ncccc3C2=O)c(Br)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4453204 OBDepict CH 3 O OH F Br S O N IC50 <= 500.0 nM 382.21 COc1cc(/C=C2Sc3ncccc3C2=O)c(Br)c(F)c1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4556157 OBDepict CH 3 O OH I S O N IC50 <= 500.0 nM 411.22 COc1cc(/C=C2Sc3ncccc3C2=O)c(I)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4460856 OBDepict H 3 C O HO Br S S N O CH 3 IC50 <= 500.0 nM 360.25 COc1cc(/C=C2SC(=O)N(C)C2=S)c(Br)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4574582 OBDepict O S N H 3 C O Br F N H N N H 2 N IC50 <= 500.0 nM 462.3 CN1C(=O)S/C(=Cc2cc3c(Cc4cnc(N)nc4)c[nH]c3c(F)c2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4533755 OBDepict CH 3 O OH Br S O N N H IC50 <= 500.0 nM 353.2 COc1cc(/C=c2sc3nccn3c2=O)c(Br)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4528021 OBDepict O NH S O N IC50 <= 500.0 nM 246.29 O=C1NC(=O)/C(=C2CCCc3cnccc32)S1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4588353 OBDepict HO O F Br N N S O + S N CH 3 _ O IC50 = 500.0 nM 522.38 C[S+]([O-])c1ncc(COc2cc(/C=C3Sc4ncccc4C3=O)c(Br)c(F)c2O)cn1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4458811 OBDepict O S N CH 3 O Br O F HO CH 3 N NH 2 N IC50 = 500.0 nM 469.29 CC(Oc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)c(F)c1O)c1cncnc1N Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4440796 OBDepict O S N H 3 C O Br O OH N N N H O N IC50 <= 500.0 nM 542.37 CN1C(=O)S/C(=Cc2cc(OCc3cnc(NC(=O)c4ccncc4)nc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4473869 OBDepict O S N CH 3 O Br O F OH F F N N NH 2 IC50 = 500.0 nM 505.27 CN1C(=O)S/C(=Cc2cc(OCC(F)(F)c3cnc(N)nc3)c(O)c(F)c2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4439783 OBDepict O NH O N S N OH F Br S O N O H 3 C IC50 = 500.0 nM 489.3 CN1C(=O)S/C(=Cc2cc(OCC(=O)Nc3nncs3)c(O)c(F)c2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4531995 OBDepict O S N CH 3 O Br O F HO N N H 2 N IC50 = 500.0 nM 495.33 CN1C(=O)S/C(=Cc2cc(OCC3(c4cnc(N)nc4)CC3)c(O)c(F)c2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4562478 OBDepict CH 3 O OH N N F Br H 2 N S O N O H 3 C IC50 = 500.0 nM 483.32 CC(Cc1cnc(N)nc1)Oc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)c(F)c1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4442637 OBDepict H 2 N N S O O F Br CH 3 N N S O N H 2 N O H 3 C IC50 = 500.0 nM 567.42 CC(Oc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)c(F)c1Oc1cnc(N)s1)c1cnc(N)nc1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4548126 OBDepict O S N H 3 C O Br O OH N O CH 3 IC50 = 500.0 nM 461.29 Cc1nc2c(Oc3cc(/C=C4SC(=O)N(C)C4=O)c(Br)cc3O)cccc2o1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4586128 OBDepict NH 2 N H Br S O N O CH 3 IC50 = 500.0 nM 428.31 CN1C(=O)S/C(=Cc2cc3c(-c4ccc(N)cc4)c[nH]c3cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4451693 OBDepict CH 3 S OH Br S O N O CH 3 IC50 = 500.0 nM 464.41 CSc1ccc(CCc2cc(/C=C3SC(=O)N(C)C3=O)c(Br)cc2O)cc1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4469511 OBDepict CH 3 N O S O Br HO F F F IC50 = 500.0 nM 396.18 CN1C(=O)S/C(=Cc2cc(CC(F)(F)F)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4575253 OBDepict O S N H 3 C O Br O F HO S N H 2 N IC50 = 500.0 nM 446.28 CN1C(=O)S/C(=Cc2cc(Oc3cnc(N)s3)c(O)c(F)c2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4578262 OBDepict O S N H 3 C O Br O HO N N N HN IC50 <= 500.0 nM 506.38 CN1C(=O)S/C(=Cc2cc(OCc3cnc(N4CCNCC4)nc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4472542 OBDepict H 3 C O N N HO Cl F Br S O N O H 3 C IC50 = 500.0 nM 502.75 CCC(Oc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)c(F)c1O)c1cnc(Cl)nc1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4476601 OBDepict H N F Br S O N O CH 3 IC50 = 500.0 nM 355.19 CN1C(=O)S/C(=Cc2cc3cc[nH]c3c(F)c2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4566708 OBDepict O S N CH 3 O Br OH N N NH 2 IC50 = 500.0 nM 435.3 CN1C(=O)S/C(=Cc2cc(CCc3cnc(N)nc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL3911800 OBDepict O N H S O N IC50 <= 500.0 nM 206.23 O=C1NC(=O)/C(=C/c2ccncc2)S1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4565827 OBDepict O NH S O CH 3 N IC50 <= 500.0 nM 220.25 Cc1cnccc1/C=C1SC(=O)NC1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4545924 OBDepict CH 3 S O HN O N IC50 <= 500.0 nM 220.25 C/C(=C1/SC(=O)NC1=O)c1ccncc1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4547801 OBDepict H 3 C O N N HO H 2 N F Br S O N O H 3 C IC50 <= 500.0 nM 483.32 CCC(Oc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)c(F)c1O)c1cnc(N)nc1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4467619 OBDepict O S N H 3 C O Br O OH N CH 3 N NH 2 IC50 <= 500.0 nM 451.3 Cc1nc(N)ncc1COc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4575054 OBDepict O S N CH 3 O Br O HO N N H 2 N IC50 <= 500.0 nM 477.34 CN1C(=O)S/C(=Cc2cc(OCc3cnc(N)nc3C3CC3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4564336 OBDepict O S N H 3 C O Br O HO N N F F F H 2 N IC50 <= 500.0 nM 505.27 CN1C(=O)S/C(=Cc2cc(OCc3cnc(N)nc3C(F)(F)F)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4594128 OBDepict O S N H 3 C O Br O HO N N IC50 <= 500.0 nM 422.26 CN1C(=O)S/C(=Cc2cc(OCc3cncnc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4589231 OBDepict H 2 N N N O CH 3 HO F Br S O N IC50 <= 500.0 nM 489.33 CC(Oc1cc(/C=C2Sc3ncccc3C2=O)c(Br)c(F)c1O)c1cnc(N)nc1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4560300 OBDepict NH 2 N N O CH 3 OH Br S O N IC50 <= 500.0 nM 471.34 CC(Oc1cc(/C=C2Sc3ncccc3C2=O)c(Br)cc1O)c1cnc(N)nc1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4443642 OBDepict NH 2 HN N N O HO Br S O N O CH 3 IC50 <= 500.0 nM 452.29 CN1C(=O)S/C(=Cc2cc(OCc3cnc(NN)nc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4473599 OBDepict O S N H 3 C O Br O OH N N H 2 N IC50 <= 500.0 nM 451.3 CN1C(=O)S/C(=Cc2cc(OCCc3cnc(N)nc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4460537 OBDepict O S N H 3 C O Br O OH CH 3 N N NH 2 IC50 <= 500.0 nM 451.3 CC(Oc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)cc1O)c1cnc(N)nc1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4463528 OBDepict O S N H 3 C O Br O HO N IC50 <= 500.0 nM 421.27 CN1C(=O)S/C(=Cc2cc(OCc3cccnc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4457680 OBDepict O S N CH 3 O Br O OH N N H IC50 <= 500.0 nM 410.25 CN1C(=O)S/C(=Cc2cc(OCc3cn[nH]c3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4452184 OBDepict O S N CH 3 O Br O OH N N Cl IC50 <= 500.0 nM 456.71 CN1C(=O)S/C(=Cc2cc(OCc3cnc(Cl)nc3)c(O)cc2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4458534 OBDepict O S N H 3 C O Br O F HO N IC50 <= 500.0 nM 439.26 CN1C(=O)S/C(=Cc2cc(OCc3cccnc3)c(O)c(F)c2Br)C1=O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4541629 OBDepict O S N H 3 C O Br O F OH N CH 3 N NH 2 IC50 <= 500.0 nM 469.29 Cc1nc(N)ncc1COc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)c(F)c1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4580933 OBDepict O S N H 3 C O Br O F OH CH 3 N N NH 2 IC50 <= 500.0 nM 469.29 CC(Oc1cc(/C=C2SC(=O)N(C)C2=O)c(Br)c(F)c1O)c1cnc(N)nc1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4440044 OBDepict CH 3 O OH Br S O N IC50 <= 500.0 nM 378.25 CCOc1cc(/C=C2Sc3ncccc3C2=O)c(Br)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4441027 OBDepict OH O Br S N O N IC50 <= 500.0 nM 441.31 O=C1/C(=C/c2cc(OCc3cccnc3)c(O)cc2Br)Sc2ncccc21 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4559137 OBDepict CH 3 N N O OH Br S O N IC50 <= 500.0 nM 456.32 Cc1ncc(COc2cc(/C=C3Sc4ncccc4C3=O)c(Br)cc2O)cn1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4580908 OBDepict Cl N N O OH Br S O N IC50 <= 500.0 nM 476.74 O=C1/C(=C/c2cc(OCc3cnc(Cl)nc3)c(O)cc2Br)Sc2ncccc21 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4456678 OBDepict H 2 N N N CH 3 O HO Br S O N IC50 <= 500.0 nM 471.34 Cc1nc(N)ncc1COc1cc(/C=C2Sc3ncccc3C2=O)c(Br)cc1O Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4531201 OBDepict NH 2 N N O HO Br S O N IC50 <= 500.0 nM 497.37 Nc1ncc(COc2cc(/C=C3Sc4ncccc4C3=O)c(Br)cc2O)c(C2CC2)n1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4545477 OBDepict NH 2 N N F F F O OH Br S O N IC50 <= 500.0 nM 525.31 Nc1ncc(COc2cc(/C=C3Sc4ncccc4C3=O)c(Br)cc2O)c(C(F)(F)F)n1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4552383 OBDepict CH 3 N N CH 3 O OH Br S O N IC50 <= 500.0 nM 470.35 Cc1ncc(COc2cc(/C=C3Sc4ncccc4C3=O)c(Br)cc2O)c(C)n1 Homo sapiens CHEMBL4418453 cell-based format
CHEMBL4463656 OBDepict Cl N N O CH 3 OH Br S O N IC50 <= 500.0 nM 490.77 CC(Oc1cc(/C=C2Sc3ncccc3C2=O)c(Br)cc1O)c1cnc(Cl)nc1 Homo sapiens CHEMBL4418453 cell-based format