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P24557 | THAS_HUMAN | Thromboxane-A synthase (TBXAS1)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL136762 OBDepict OH O N H N S O O F IC50 = 1.0 nM 436.55 O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(F)cc1)CCCc1cccnc1 Homo sapiens CHEMBL813715 single protein format
CHEMBL338420 OBDepict HO O N HN S O O F IC50 = 1.0 nM 480.56 O=C(O)CCC/C=C(/c1cccnc1)c1ccc2c(c1)CC(NS(=O)(=O)c1ccc(F)cc1)C2 Homo sapiens CHEMBL816624 assay format
CHEMBL435590 OBDepict OH O NH N S O O CH 3 IC50 = 1.0 nM 432.59 Cc1ccc(S(=O)(=O)NCCCCC(CCCc2cccnc2)CCC(=O)O)cc1 Homo sapiens CHEMBL813715 single protein format
CHEMBL137402 OBDepict OH O NH N CH 3 S O O Cl IC50 = 1.0 nM 467.03 Cc1ccncc1CCCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCC(=O)O Homo sapiens CHEMBL813715 single protein format
CHEMBL136738 OBDepict HO O N H N S O O IC50 = 1.5 nM 468.62 O=C(O)CCC(CCCCNS(=O)(=O)c1ccc2ccccc2c1)CCCc1cccnc1 Homo sapiens CHEMBL813715 single protein format
CHEMBL341686 OBDepict OH O S N H N S O O Cl IC50 = 2.0 nM 471.04 O=C(O)CSC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 Homo sapiens CHEMBL813715 single protein format
CHEMBL301550 OBDepict HO O N CH 3 N Cl IC50 = 2.0 nM 356.85 Cn1c(-c2cccnc2)c(CCCCCC(=O)O)c2cc(Cl)ccc21 Homo sapiens CHEMBL816621 assay format
CHEMBL339269 OBDepict OH O N N H S O O Cl IC50 = 2.0 nM 487.02 O=C(O)CCCCC(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 Homo sapiens CHEMBL816624 assay format
CHEMBL139372 OBDepict OH O N H N S O O F F F IC50 = 2.0 nM 486.56 O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1)CCCc1cccnc1 Homo sapiens CHEMBL813715 single protein format
CHEMBL65414 OBDepict OH O N H N S O O Cl IC50 = 2.0 nM 453.0 O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 Homo sapiens CHEMBL808526 single protein format
CHEMBL53346 OBDepict _ O O H H H HN S O O + Na IC50 = 2.3 nM 399.49 O=C([O-])CCC/C=CC[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2)C2CC[C@@H]1C2.[Na+] Homo sapiens CHEMBL812847 assay format
CHEMBL151083 OBDepict OH O N O N N H O O IC50 = 2.6 nM 511.58 O=C(O)CCCC/C=C(c1ccc(-c2nc(C(=O)NCCOc3ccccc3)co2)cc1)c1cccnc1 Homo sapiens CHEMBL814386 single protein format
CHEMBL151091 OBDepict CH 3 O N H O N O N O OH IC50 = 2.7 nM 539.63 COc1ccc(CCCNC(=O)c2coc(-c3ccc(/C(=CCCCCC(=O)O)c4cccnc4)cc3)n2)cc1 Homo sapiens CHEMBL814386 single protein format
CHEMBL26820 OBDepict OH O N IC50 = 2.9 nM 281.36 O=C(O)CCCC/C=C(c1ccccc1)c1cccnc1 Homo sapiens CHEMBL811638 assay format
CHEMBL344457 OBDepict CH 3 O S NH O O O OH N IC50 = 3.0 nM 448.59 COc1ccc(S(=O)(=O)NCCCCC(CCCc2cccnc2)CCC(=O)O)cc1 Homo sapiens CHEMBL813715 single protein format
CHEMBL21852 OBDepict N NH N N H N O OH IC50 = 3.0 nM 483.62 N#CN/C(=N/C12CC3CC(CC(C3)C1)C2)Nc1cccc(/C(=CCCCC(=O)O)c2cccnc2)c1 Homo sapiens CHEMBL813721 assay format
CHEMBL21639 OBDepict N NH N N H N O HO IC50 = 3.0 nM 417.51 N#CN/C(=N/C1CCCC1)Nc1cccc(/C(=CCCCC(=O)O)c2cccnc2)c1 Homo sapiens CHEMBL813721 assay format
CHEMBL416374 OBDepict N NH NH N CH 3 H 3 C N O HO IC50 = 3.0 nM 419.53 CC(C)CC/N=C(/NC#N)Nc1cccc(/C(=CCCCC(=O)O)c2cccnc2)c1 Homo sapiens CHEMBL813721 assay format
CHEMBL134580 OBDepict OH O N N H N S O O Cl IC50 = 3.0 nM 441.98 O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCn1ccnc1 Homo sapiens CHEMBL813715 single protein format
CHEMBL543256 OBDepict HO O CH 3 N ClH IC50 = 3.0 nM 289.76 C/C(=C/c1ccc(Cc2cccnc2)cc1)C(=O)O.Cl Homo sapiens CHEMBL814396 single protein format
CHEMBL48092 OBDepict OH O N N IC50 = 3.0 nM 232.28 O=C(O)CCCCCc1cccc2cncn12 Homo sapiens CHEMBL808526 single protein format
CHEMBL136371 OBDepict OH O N H + N S _ O O O Cl IC50 = 3.0 nM 469.0 O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1ccc[n+]([O-])c1 Homo sapiens CHEMBL813715 single protein format
CHEMBL63904 OBDepict OH O O N H N S O O Cl IC50 = 3.0 nM 454.98 O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCOc1cccnc1 Homo sapiens CHEMBL813715 single protein format
CHEMBL282884 OBDepict N NH NH N N O HO IC50 = 3.0 nM 431.54 N#CN/C(=N/C1CCCCC1)Nc1cccc(/C(=CCCCC(=O)O)c2cccnc2)c1 Homo sapiens CHEMBL813721 assay format
CHEMBL21954 OBDepict HO O N N H N H N S O O H 3 C CH 3 H 3 C IC50 = 3.0 nM 520.66 CC(C)(C)/N=C(Nc1cccc(/C(=CCCCC(=O)O)c2cccnc2)c1)NS(=O)(=O)c1ccccc1 Homo sapiens CHEMBL813721 assay format
CHEMBL136934 OBDepict HO O CH 3 N H N S O O Cl IC50 = 3.0 nM 467.03 CC(CC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1)C(=O)O Homo sapiens CHEMBL813715 single protein format
CHEMBL68058 OBDepict OH O H O HN N S O O Cl IC50 = 3.5 nM 454.98 O=C(O)CC[C@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCOc1cccnc1 Homo sapiens CHEMBL815022 assay format
CHEMBL341094 OBDepict OH O N N H S O O F IC50 = 4.0 nM 468.55 O=C(O)CCC/C=C(c1ccc(CCNS(=O)(=O)c2ccc(F)cc2)cc1)c1cccnc1 Homo sapiens CHEMBL816624 assay format
CHEMBL21303 OBDepict OH O N HN NH N O IC50 = 4.0 nM 496.61 O=C(O)CCC/C=C(/c1cccnc1)c1cccc(N/C(=NC2CCCC2)NC(=O)c2ccccc2)c1 Homo sapiens CHEMBL813721 assay format
CHEMBL130470 OBDepict CH 3 N S O O Cl N O OH IC50 = 4.0 nM 513.06 CCN(CCc1ccc(/C(=CCCCC(=O)O)c2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL816624 assay format
CHEMBL126334 OBDepict Cl S N H O O N O HO IC50 = 4.0 nM 519.02 O=C(O)c1cccc(/C=C(c2ccc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc2)c2cccnc2)c1 Homo sapiens CHEMBL816624 assay format
CHEMBL277689 OBDepict OH O N N H S O O Cl IC50 = 4.0 nM 485.01 O=C(O)CCC/C=C(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 Homo sapiens CHEMBL816624 assay format
CHEMBL7718 OBDepict N HN N NH H 3 C CH 3 H 3 C N O OH IC50 = 4.0 nM 405.5 CC(C)(C)/N=C(NC#N)Nc1cccc(/C(=C/CCCC(=O)O)c2cccnc2)c1 Homo sapiens CHEMBL809677 single protein format
CHEMBL542300 OBDepict H 3 C O OH N N ClH IC50 = 4.0 nM 278.74 C/C(=Cc1cccc(Cn2ccnc2)c1)C(=O)O.Cl Homo sapiens CHEMBL814395 single protein format
CHEMBL138328 OBDepict OH O NH N S O O S O O CH 3 IC50 = 4.0 nM 496.65 CS(=O)(=O)c1ccc(S(=O)(=O)NCCCCC(CCCc2cccnc2)CCC(=O)O)cc1 Homo sapiens CHEMBL813715 single protein format
CHEMBL281398 OBDepict N HN N NH H 3 C CH 3 H 3 C N O OH IC50 = 4.0 nM 405.5 CC(C)(C)/N=C(NC#N)Nc1cccc(/C(=CCCCC(=O)O)c2cccnc2)c1 Homo sapiens CHEMBL813721 assay format
CHEMBL21647 OBDepict O HN NH CH 3 CH 3 CH 3 N O HO IC50 = 4.0 nM 381.48 CC(C)(C)NC(=O)Nc1cccc(/C(=CCCCC(=O)O)c2cccnc2)c1 Homo sapiens CHEMBL813721 assay format
CHEMBL339812 OBDepict OH O N CH 3 N HN S O O F IC50 = 4.0 nM 471.55 Cn1c(CCNS(=O)(=O)c2ccc(F)cc2)ccc1/C(=CCCCC(=O)O)c1cccnc1 Homo sapiens CHEMBL816624 assay format
CHEMBL338419 OBDepict OH O N N S O O Cl N O IC50 = 4.0 nM 598.16 O=C(O)CCC/C=C(c1ccc(CCN(CCN2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 Homo sapiens CHEMBL816624 assay format
CHEMBL127380 OBDepict OH O N N H S O O Cl IC50 = 4.0 nM 485.01 O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 Homo sapiens CHEMBL816624 assay format
CHEMBL137505 OBDepict _ N + N N S NH O O O OH N IC50 = 4.0 nM 459.57 [N-]=[N+]=Nc1ccc(S(=O)(=O)NCCCCC(CCCc2cccnc2)CCC(=O)O)cc1 Homo sapiens CHEMBL813715 single protein format
CHEMBL543726 OBDepict CH 3 O OH N N ClH IC50 = 4.0 nM 278.74 C/C(=Cc1ccc(Cn2ccnc2)cc1)C(=O)O.Cl Homo sapiens CHEMBL814396 single protein format
CHEMBL136904 OBDepict OH O N H N S O O Cl IC50 = 4.0 nM 481.06 O=C(O)C(CCCCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCCCc1cccnc1 Homo sapiens CHEMBL820602 single protein format
CHEMBL63040 OBDepict HO O H H O H O N IC50 = 4.3 nM 457.57 O=C(O)CC/C=CCC[C@@H]1[C@@H](c2cccnc2)OC[C@@H]1OCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL808527 single protein format
CHEMBL11811 OBDepict _ O O CH 3 N + Na IC50 = 4.3 nM 275.28 C/C(=Cc1ccc(Cc2cccnc2)cc1)C(=O)[O-].[Na+] Homo sapiens CHEMBL811638 assay format
CHEMBL65187 OBDepict OH O H HN N S O O Cl IC50 = 4.5 nM 453.0 O=C(O)CC[C@@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 Homo sapiens CHEMBL815022 assay format
CHEMBL294924 OBDepict OH O N N IC50 = 4.8 nM 230.27 O=C(O)/C=C/CCCc1cccc2cncn12 Homo sapiens CHEMBL812673 assay format
CHEMBL114723 OBDepict HO O N N N IC50 = 4.9 nM 309.37 O=C(O)CCn1c(C2CC2)c(Cn2ccnc2)c2ccccc21 Homo sapiens CHEMBL815020 assay format
CHEMBL138743 OBDepict Cl S N H O O N N N N N IC50 = 5.0 nM 477.03 O=S(=O)(NCCCCC(CCCc1cccnc1)CCC1N=NN=N1)c1ccc(Cl)cc1 Homo sapiens CHEMBL813715 single protein format
CHEMBL126196 OBDepict H 2 N O N S O O Cl N O HO IC50 = 5.0 nM 542.06 NC(=O)CN(CCc1ccc(/C(=CCCCC(=O)O)c2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL816624 assay format
CHEMBL129635 OBDepict CH 3 O O H 3 C S NH O O N O OH IC50 = 5.0 nM 510.61 COc1ccc(S(=O)(=O)NCCc2ccc(/C(=CCCCC(=O)O)c3cccnc3)cc2)cc1OC Homo sapiens CHEMBL816624 assay format
CHEMBL127357 OBDepict OH O N N H S O O IC50 = 5.0 nM 464.59 O=C(O)CCC/C=C(c1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1)c1cccnc1 Homo sapiens CHEMBL816624 assay format
CHEMBL339568 OBDepict HO O N HN S O O Cl IC50 = 5.0 nM 456.95 O=C(O)CCC/C=C(c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 Homo sapiens CHEMBL816624 assay format
CHEMBL126761 OBDepict OH O N N H S O O IC50 = 5.0 nM 450.56 O=C(O)CCC/C=C(c1ccc(CCNS(=O)(=O)c2ccccc2)cc1)c1cccnc1 Homo sapiens CHEMBL816624 assay format
CHEMBL415519 OBDepict CH 3 S NH O O N O OH IC50 = 5.0 nM 430.57 CCCCS(=O)(=O)NCCc1ccc(/C(=CCCCC(=O)O)c2cccnc2)cc1 Homo sapiens CHEMBL816624 assay format
CHEMBL127683 OBDepict OH O N N H S O O Cl IC50 = 5.0 nM 470.98 O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CNS(=O)(=O)c2ccc(Cl)cc2)c1 Homo sapiens CHEMBL816624 assay format
CHEMBL554568 OBDepict OH O N N ClH IC50 = 5.0 nM 266.73 Cl.O=C(O)c1ccc(CCCn2ccnc2)cc1 Homo sapiens CHEMBL814395 single protein format
CHEMBL64005 OBDepict OH O H HN N S O O Cl IC50 = 5.0 nM 453.0 O=C(O)CC[C@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 Homo sapiens CHEMBL815022 assay format
CHEMBL536798 OBDepict HO O Br N ClH IC50 = 5.0 nM 354.63 Cl.O=C(O)/C(Br)=C/c1ccc(Cc2cccnc2)cc1 Homo sapiens CHEMBL814396 single protein format
CHEMBL338241 OBDepict CH 3 O S NH O O N O OH IC50 = 5.0 nM 480.59 COc1ccc(S(=O)(=O)NCCc2ccc(/C(=CCCCC(=O)O)c3cccnc3)cc2)cc1 Homo sapiens CHEMBL816624 assay format
CHEMBL47021 OBDepict CH 3 O S N O HO N IC50 = 5.0 nM 288.33 COc1cc(Cn2ccnc2)cc2sc(C(=O)O)cc12 Homo sapiens CHEMBL815019 assay format
CHEMBL22023 OBDepict N HN N NH H 3 C CH 3 H 3 C N O N O OH IC50 = 5.0 nM 436.52 CC(C)(C)/N=C(NC#N)Nc1cccc(/C(=NOCCCCC(=O)O)c2cccnc2)c1 Homo sapiens CHEMBL813721 assay format
CHEMBL44445 OBDepict OH O N H N N IC50 = 5.0 nM 241.25 O=C(O)c1cc2cc(Cn3ccnc3)ccc2[nH]1 Homo sapiens CHEMBL815019 assay format
CHEMBL129734 OBDepict HO O N N H S O O CH 3 IC50 = 5.0 nM 464.59 Cc1ccc(S(=O)(=O)NCCc2ccc(/C(=CCCCC(=O)O)c3cccnc3)cc2)cc1 Homo sapiens CHEMBL816624 assay format
CHEMBL21476 OBDepict N HN N NH H 3 C CH 3 H 3 C N O OH IC50 = 5.0 nM 433.56 CC(C)(C)/N=C(NC#N)Nc1cccc(/C(=CCCCCCC(=O)O)c2cccnc2)c1 Homo sapiens CHEMBL813721 assay format
CHEMBL45685 OBDepict HO O N N IC50 = 5.2 nM 246.31 O=C(O)CCCCCCc1cccc2cncn12 Homo sapiens CHEMBL812673 assay format
CHEMBL42462 OBDepict OH O S CH 3 N N IC50 = 5.2 nM 272.33 Cc1c(C(=O)O)sc2cc(Cn3ccnc3)ccc12 Homo sapiens CHEMBL815019 assay format
CHEMBL129867 OBDepict OH O O N N N F F F IC50 = 6.0 nM 367.33 O=C(O)CCCCO/N=C(c1cccc(C(F)(F)F)c1)c1cnccn1 Homo sapiens CHEMBL820600 assay format
CHEMBL338360 OBDepict OH O N N H S O O F F F IC50 = 6.0 nM 518.56 O=C(O)CCC/C=C(c1ccc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)c1cccnc1 Homo sapiens CHEMBL816624 assay format
CHEMBL21478 OBDepict N HN N NH H 3 C CH 3 H 3 C N O OH IC50 = 6.0 nM 419.53 CC(C)(C)/N=C(NC#N)Nc1cccc(/C(=CCCCCC(=O)O)c2cccnc2)c1 Homo sapiens CHEMBL813721 assay format
CHEMBL340396 OBDepict HO O N N H S O O Cl IC50 = 7.0 nM 470.98 O=C(O)CCC/C=C(c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 Homo sapiens CHEMBL816624 assay format
CHEMBL557386 OBDepict CH 3 O OH N ClH IC50 = 7.0 nM 303.79 CC/C(=Cc1ccc(Cc2cccnc2)cc1)C(=O)O.Cl Homo sapiens CHEMBL814396 single protein format
CHEMBL280728 OBDepict OH O O N N F F F IC50 = 7.0 nM 366.34 O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL820600 assay format
CHEMBL301280 OBDepict HO O H H N IC50 = 7.0 nM 301.43 O=C(O)CCCCCC[C@H]1C2CCC(C2)[C@H]1c1cccnc1 Homo sapiens CHEMBL808522 single protein format
CHEMBL345105 OBDepict HO O N H N S O O Cl IC50 = 7.0 nM 438.98 O=C(O)CC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 Homo sapiens CHEMBL813715 single protein format
CHEMBL128022 OBDepict OH O N N H S O O Cl IC50 = 7.0 nM 456.95 O=C(O)CCC/C=C(/c1cccnc1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 Homo sapiens CHEMBL816624 assay format
CHEMBL295121 OBDepict OH O N H S N O O Cl IC50 = 7.0 nM 472.99 O=C(O)Cc1cc(CCCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCc2cccnc2)c1 Homo sapiens CHEMBL808534 assay format
CHEMBL136880 OBDepict _ O O N H N S O O Cl + K IC50 = 7.0 nM 489.08 O=C([O-])CCC(C/C=C/c1cccnc1)CCCCNS(=O)(=O)c1ccc(Cl)cc1.[K+] Homo sapiens CHEMBL813715 single protein format
CHEMBL42461 OBDepict OH O S Cl N N IC50 = 7.4 nM 292.75 O=C(O)c1sc2cc(Cn3ccnc3)ccc2c1Cl Homo sapiens CHEMBL815019 assay format
CHEMBL126577 OBDepict HO O N NH S O O Cl IC50 = 8.0 nM 511.04 O=C(O)CCC/C=C(/c1cccnc1)c1ccc2c(c1)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2 Homo sapiens CHEMBL816624 assay format
CHEMBL114672 OBDepict HO O N CH 3 H 3 C N N IC50 = 8.2 nM 311.39 CC(C)c1c(Cn2ccnc2)c2ccccc2n1CCC(=O)O Homo sapiens CHEMBL815020 assay format
CHEMBL115899 OBDepict CH 3 N N N IC50 = 8.4 nM 225.29 CCn1cc(Cn2ccnc2)c2ccccc21 Homo sapiens CHEMBL815020 assay format
CHEMBL151519 OBDepict OH O N O N N H O H H IC50 = 8.5 nM 507.59 O=C(O)CCCC/C=C(c1ccc(-c2nc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)co2)cc1)c1cccnc1 Homo sapiens CHEMBL814386 single protein format
CHEMBL43745 OBDepict H 3 C O O HN S O O Cl N IC50 = 9.0 nM 487.02 COC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCc2cccnc2)c1 Homo sapiens CHEMBL808534 assay format
CHEMBL555625 OBDepict OH O CH 3 H 3 C N N ClH IC50 = 9.0 nM 270.76 CC(C)(CCCC#CCn1ccnc1)C(=O)O.Cl Homo sapiens CHEMBL814395 single protein format
CHEMBL105139 OBDepict H 3 C NH S N CH 3 OH H 3 C N IC50 = 9.0 nM 299.4 CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1 Homo sapiens CHEMBL816623 assay format
CHEMBL544493 OBDepict CH 3 O P O OH N H 3 C N ClH IC50 = 9.0 nM 408.87 CCOP(=O)(O)CCCCn1c(-c2cccnc2)c(C)c2ccccc21.Cl Homo sapiens CHEMBL816621 assay format
CHEMBL150563 OBDepict OH O N O N N H O IC50 = 9.4 nM 495.58 O=C(O)CCCC/C=C(c1ccc(-c2nc(C(=O)NCCc3ccccc3)co2)cc1)c1cccnc1 Homo sapiens CHEMBL814386 single protein format
CHEMBL537261 OBDepict OH O N ClH IC50 = 10.0 nM 275.74 Cl.O=C(O)/C=C/c1ccc(Cc2cccnc2)cc1 Homo sapiens CHEMBL814396 single protein format
CHEMBL3217077 OBDepict H 3 C NH S N CH 3 OH H 3 C N ClH ClH IC50 = 10.0 nM 386.35 CCNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1.Cl.Cl Homo sapiens CHEMBL816623 assay format
CHEMBL415946 OBDepict OH O N CH 3 N IC50 = 10.0 nM 308.38 Cc1c(-c2cccnc2)n(CCCCC(=O)O)c2ccccc12 Homo sapiens CHEMBL816621 assay format
CHEMBL159851 OBDepict N F H 3 C H 3 C O O N O OH IC50 < 10.0 nM 452.53 CC(C)(Cc1ccc(F)cc1C#N)C1OCC(C/C=CCCC(=O)O)C(c2cccnc2)O1 Homo sapiens CHEMBL808525 assay format
CHEMBL161518 OBDepict OH O O O N O CH 3 CH 3 + N O _ O IC50 < 10.0 nM 456.5 CC(C)(Oc1ccccc1[N+](=O)[O-])C1OCC(C/C=CCCC(=O)O)C(c2cccnc2)O1 Homo sapiens CHEMBL808525 assay format
CHEMBL134686 OBDepict OH O N H N S O O Cl IC50 = 10.0 nM 450.99 O=C(O)/C=C/C(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 Homo sapiens CHEMBL813715 single protein format
CHEMBL544065 OBDepict Cl N H O N O H 3 C N N ClH IC50 = 10.0 nM 355.23 CC(Cn1ccnc1)Cn1c(=O)[nH]c2cc(Cl)ccc2c1=O.Cl Homo sapiens CHEMBL879209 single protein format
CHEMBL162406 OBDepict OH O O O N O CH 3 CH 3 + N O _ O O CH 3 IC50 < 10.0 nM 498.53 CC(=O)c1ccc(OC(C)(C)C2OCC(C/C=CCCC(=O)O)C(c3cccnc3)O2)c([N+](=O)[O-])c1 Homo sapiens CHEMBL808525 assay format
CHEMBL116980 OBDepict OH O N N F F F N IC50 = 10.0 nM 337.3 O=C(O)CCn1cc(Cn2ccnc2)c2ccc(C(F)(F)F)cc21 Homo sapiens CHEMBL815020 assay format
CHEMBL542549 OBDepict OH O N N ClH IC50 = 11.0 nM 264.71 Cl.O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1 Homo sapiens CHEMBL814395 single protein format
CHEMBL62834 OBDepict HO O H H O H S N IC50 = 11.0 nM 473.64 O=C(O)CC/C=CCC[C@@H]1[C@@H](c2cccnc2)SC[C@@H]1OCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL808526 single protein format
CHEMBL440096 OBDepict N HN HN N N O OH IC50 = 11.0 nM 439.52 N#CN/C(=N/Cc1ccccc1)Nc1cccc(/C(=CCCCC(=O)O)c2cccnc2)c1 Homo sapiens CHEMBL813721 assay format