HOME LIGAND hPROTEOME OTHERS DOCUMENT

P21731 | TA2R_HUMAN | Thromboxane A2 receptor (TBXA2R)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL435382 OBDepict HO O H H H HN S H O O IC50 = 0.13 nM 427.57 O=C(O)CCC/C=CC[C@@H]1[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)[C@H]2CC[C@@H]1C2 Homo sapiens CHEMBL811626 assay format
CHEMBL209168 OBDepict H 3 C N H S N H O O N O + N O _ O IC50 = 0.46 nM 418.48 Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)N2CCCCC2)cc1 Homo sapiens CHEMBL863214 cell-based format
CHEMBL379736 OBDepict H 3 C N H N H O S O O N H + N O _ O IC50 = 0.71 nM 426.54 CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 Homo sapiens CHEMBL863214 cell-based format
CHEMBL208818 OBDepict H 3 C N H N H O S O O O + N O _ O CH 3 IC50 = 0.72 nM 435.5 CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 Homo sapiens CHEMBL863214 cell-based format
CHEMBL209406 OBDepict H 3 C N H N H O S O O O + N O _ O CH 3 IC50 = 0.74 nM 407.45 CCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 Homo sapiens CHEMBL863214 cell-based format
CHEMBL380274 OBDepict O N H N H S O O S + N O _ O CH 3 H 3 C H 3 C CH 3 IC50 = 0.77 nM 423.52 Cc1ccc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 Homo sapiens CHEMBL863214 cell-based format
CHEMBL209306 OBDepict O N H N H S O O N H + N O _ O CH 3 H 3 C H 3 C H 3 C CH 3 IC50 = 0.78 nM 420.49 Cc1cccc(C)c1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C Homo sapiens CHEMBL863214 cell-based format
CHEMBL426387 OBDepict OH O H N Br F Cl Ki = 0.84 nM 436.71 O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21 Homo sapiens CHEMBL856875 cell-based format
CHEMBL431075 OBDepict O N H N N O O HO Ki = 0.91 nM 515.57 O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(C(=O)NCc4ccccc4)ccc31)c1ccccc1CO2 Homo sapiens CHEMBL810496 assay format
CHEMBL208115 OBDepict CH 3 N H N H O S O O HN + N O _ O CH 3 IC50 = 1.01 nM 420.49 CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C)c1 Homo sapiens CHEMBL863214 cell-based format
CHEMBL210602 OBDepict O N H N H S O O N H + N O _ O CH 3 H 3 C H 3 C CH 3 IC50 = 1.05 nM 406.46 Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 Homo sapiens CHEMBL863214 cell-based format
CHEMBL379659 OBDepict CH 3 N H N H O S O O HN + N O _ O H 3 C CH 3 IC50 = 1.08 nM 434.52 CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cc(C)cc(C)c1 Homo sapiens CHEMBL863214 cell-based format
CHEMBL7353 OBDepict CH 3 N H N H O S O O HN + N O _ O IC50 = 1.1 nM 412.51 CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 Homo sapiens CHEMBL811637 single protein format
CHEMBL209035 OBDepict O N H N H S O O O + N O _ O CH 3 H 3 C H 3 C CH 3 IC50 = 1.26 nM 407.45 Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 Homo sapiens CHEMBL863214 cell-based format
CHEMBL377679 OBDepict CH 3 N H HN O S O O NH + N O _ O CH 3 H 3 C IC50 = 1.52 nM 434.52 CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1c(C)cccc1C Homo sapiens CHEMBL863214 cell-based format
CHEMBL208543 OBDepict O HN N H S O O O + N O _ O H 3 C IC50 = 1.52 nM 433.49 Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC2CCCCC2)cc1 Homo sapiens CHEMBL863214 cell-based format
CHEMBL208260 OBDepict OH O N F F Cl Ki = 1.7 nM 389.83 O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(F)cc(F)cc21 Homo sapiens CHEMBL871220 single protein format
CHEMBL424621 OBDepict HO O O N N + N O _ O Ki = 1.8 nM 427.42 O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc([N+](=O)[O-])ccc31)c1ccccc1CO2 Homo sapiens CHEMBL810496 assay format
CHEMBL209134 OBDepict CH 3 N H N H O S O O HN + N O _ O CH 3 Br IC50 = 1.82 nM 499.39 CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(Br)c(C)c1 Homo sapiens CHEMBL863214 cell-based format
CHEMBL209245 OBDepict O HN N H S O O NH + N O _ O H 3 C IC50 = 1.9 nM 440.48 Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NCc2ccccc2)cc1 Homo sapiens CHEMBL863214 cell-based format
CHEMBL378125 OBDepict OH O N Br Cl Ki = 2.2 nM 432.74 O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cccc21 Homo sapiens CHEMBL871220 single protein format
CHEMBL333159 OBDepict HO O O N N F F F Ki = 2.2 nM 450.42 O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(C(F)(F)F)ccc31)c1ccccc1CO2 Homo sapiens CHEMBL810496 assay format
CHEMBL206631 OBDepict OH O N Cl Ki = 2.4 nM 353.85 O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccccc21 Homo sapiens CHEMBL871220 single protein format
CHEMBL211008 OBDepict CH 3 N H N H O S O O HN + N O _ O IC50 = 2.5 nM 440.57 CCCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 Homo sapiens CHEMBL863214 cell-based format
CHEMBL377072 OBDepict CH 3 S N O OH Cl Ki = 2.6 nM 399.94 CSc1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 Homo sapiens CHEMBL871220 single protein format
CHEMBL274415 OBDepict CH 3 N H N H O S O O O + N O _ O CH 3 IC50 = 2.63 nM 421.48 CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 Homo sapiens CHEMBL863214 cell-based format
CHEMBL210964 OBDepict CH 3 N H N H O S O O HN + N O _ O CH 3 IC50 = 2.65 nM 420.49 CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(C)cc1 Homo sapiens CHEMBL863214 cell-based format
CHEMBL115241 OBDepict HO O O N N O O Ki = 2.7 nM 426.43 O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc4c(cc31)OCO4)c1ccccc1CO2 Homo sapiens CHEMBL810496 assay format
CHEMBL422964 OBDepict OH O O N N CH 3 CH 3 Ki = 2.7 nM 410.47 Cc1cc2ncn(C/C=C3c4ccccc4COc4ccc(C(=O)O)cc43)c2cc1C Homo sapiens CHEMBL810496 assay format
CHEMBL426559 OBDepict HO O H N S F O O CH 3 Cl Ki = 2.95 nM 435.9 CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 Homo sapiens CHEMBL856875 cell-based format
CHEMBL114335 OBDepict CH 3 O N N O O HO Ki = 3.2 nM 412.45 COc1ccc2c(c1)ncn2C/C=C1c2ccccc2COc2ccc(C(=O)O)cc21 Homo sapiens CHEMBL810496 assay format
CHEMBL114213 OBDepict CH 3 O O N CH 3 N O O OH Ki = 3.4 nM 442.47 COc1cc2ncn(C/C=C3c4ccccc4COc4ccc(C(=O)O)cc43)c2cc1OC Homo sapiens CHEMBL810496 assay format
CHEMBL115224 OBDepict OH O O N N CH 3 CH 3 Ki = 3.6 nM 410.47 Cc1ccc2c(ncn2C/C=C2c3ccccc3COc3ccc(C(=O)O)cc32)c1C Homo sapiens CHEMBL810496 assay format
CHEMBL114901 OBDepict OH O S S N H S O O Ki = 3.7 nM 471.63 O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1CS2 Homo sapiens CHEMBL879433 assay format
CHEMBL482547 OBDepict OH O N S N S Cl O O CH 3 Cl Ki = 3.8 nM 485.41 CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)cc1Cl)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971469 cell-based format
CHEMBL324965 OBDepict CH 3 CH 3 N N O O OH Ki = 3.9 nM 410.47 Cc1cc(C)c2ncn(C/C=C3c4ccccc4COc4ccc(C(=O)O)cc43)c2c1 Homo sapiens CHEMBL810496 assay format
CHEMBL114034 OBDepict HO O O N OH N Ki = 4.0 nM 398.42 O=C(O)c1ccc2c(c1)/C(=C/Cn1c(O)nc3ccccc31)c1ccccc1CO2 Homo sapiens CHEMBL810496 assay format
CHEMBL277065 OBDepict CH 3 O N N H 3 C H 3 C O HO F Ki = 4.0 nM 370.42 COc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(F)ccc32)cc1 Homo sapiens CHEMBL811632 assay format
CHEMBL190288 OBDepict HO O O S O O H 3 C O HO Ki = 4.3 nM 494.57 CC(c1ccccc1)(c1ccccc1)S(=O)(=O)CCc1c(CO)oc2c(OCC(=O)O)cccc12 Homo sapiens CHEMBL830433 assay format
CHEMBL420002 OBDepict O H 3 C CH 3 CH 3 OH F O OH IC50 = 4.4 nM 386.46 Cc1c(C)c(C=O)c(C)c(C(CCCCCC(=O)O)c2ccc(F)cc2)c1O Homo sapiens CHEMBL815552 cell membrane format
CHEMBL190236 OBDepict HO O O S H 3 C O HO Ki = 4.5 nM 462.57 CC(SCCc1c(CO)oc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL830433 assay format
CHEMBL361812 OBDepict HO O N H N H S O O F Ki = 4.5 nM 416.47 O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2 Homo sapiens CHEMBL830409 single protein format
CHEMBL418730 OBDepict CH 3 S N N H 3 C H 3 C O HO F Ki = 5.0 nM 386.49 CSc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(F)ccc32)cc1 Homo sapiens CHEMBL811632 assay format
CHEMBL324256 OBDepict OH O O S HN O HO Ki = 5.1 nM 435.5 O=C(O)c1ccc2c(c1)C(SCCNC(=O)c1ccccc1O)c1ccccc1CO2 Homo sapiens CHEMBL811620 assay format
CHEMBL210471 OBDepict OH O N S O O CH 3 Cl Ki = 5.1 nM 431.94 CS(=O)(=O)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 Homo sapiens CHEMBL871220 single protein format
CHEMBL521784 OBDepict H 3 C OH H H H O H H O HO Ki = 5.5 nM 350.5 CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=CCCCC(=O)O)[C@H]2CO[C@@H]1C2 Homo sapiens CHEMBL1016595 single protein format
CHEMBL326047 OBDepict OH O O S HN S O O S Ki = 5.7 nM 461.59 O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1cccs1)c1ccccc1CO2 Homo sapiens CHEMBL811620 assay format
CHEMBL65414 OBDepict OH O N H N S O O Cl IC50 = 6.0 nM 453.0 O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 Homo sapiens CHEMBL814725 assay format
CHEMBL325032 OBDepict Cl N N O O OH Ki = 6.0 nM 416.86 O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(Cl)ccc31)c1ccccc1CO2 Homo sapiens CHEMBL810496 assay format
CHEMBL18000 OBDepict CH 3 S N N H 3 C H 3 C O HO Cl Ki = 6.0 nM 402.95 CSc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(Cl)ccc32)cc1 Homo sapiens CHEMBL811632 assay format
CHEMBL18257 OBDepict OH O CH 3 CH 3 N N F Cl Cl Ki = 6.0 nM 409.29 CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL811632 assay format
CHEMBL114324 OBDepict SH N H N S O O HO Ki = 6.1 nM 464.61 O=C(O)c1ccc2c(c1)C(SCC/N=C(S)NCc1ccccc1)c1ccccc1CO2 Homo sapiens CHEMBL879433 assay format
CHEMBL117821 OBDepict OH N N O O OH Ki = 6.1 nM 488.54 O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(C(O)c4ccccc4)ccc31)c1ccccc1CO2 Homo sapiens CHEMBL810496 assay format
CHEMBL113944 OBDepict CH 3 O O N CH 3 N O O HO Ki = 6.1 nM 442.47 COc1cc(OC)c2c(c1)ncn2C/C=C1c2ccccc2COc2ccc(C(=O)O)cc21 Homo sapiens CHEMBL810496 assay format
CHEMBL324364 OBDepict OH O O S N H S O O Ki = 6.5 nM 481.6 O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1CO2 Homo sapiens CHEMBL879433 assay format
CHEMBL210045 OBDepict O N O OH Cl Ki = 6.6 nM 381.86 O=Cc1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 Homo sapiens CHEMBL871220 single protein format
CHEMBL114102 OBDepict Br S O HN S O OH O O Ki = 6.8 nM 534.45 O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1cc(Br)ccc1CO2 Homo sapiens CHEMBL811620 assay format
CHEMBL279348 OBDepict CH 3 S N N N H 3 C H 3 C O HO Cl Ki = 7.0 nM 403.94 CSc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(Cl)cnc32)cc1 Homo sapiens CHEMBL811632 assay format
CHEMBL509685 OBDepict HO O N S N CH 3 CH 3 Cl Ki = 7.0 nM 414.96 CC(C)c1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971469 cell-based format
CHEMBL70972 OBDepict HO O O CH 3 CH 3 O CH 3 IC50 = 7.4 nM 354.45 CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O Homo sapiens CHEMBL814288 assay format
CHEMBL326856 OBDepict HO O O S N N H Ki = 7.6 nM 416.5 O=C(O)c1ccc2c(c1)C(SCCc1nc3ccccc3[nH]1)c1ccccc1CO2 Homo sapiens CHEMBL810496 assay format
CHEMBL114473 OBDepict O O N H S O O HO Ki = 7.7 nM 449.53 O=C(NCCSC1c2ccccc2COc2ccc(C(=O)O)cc21)OCc1ccccc1 Homo sapiens CHEMBL879433 assay format
CHEMBL278653 OBDepict OH O CH 3 CH 3 N N F Cl Ki = 7.8 nM 374.84 CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 Homo sapiens CHEMBL811632 assay format
CHEMBL208596 OBDepict HO N O HO Cl Ki = 7.8 nM 383.88 O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(CO)cccc21 Homo sapiens CHEMBL871220 single protein format
CHEMBL432602 OBDepict F N N O O OH Ki = 8.3 nM 400.41 O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(F)ccc31)c1ccccc1CO2 Homo sapiens CHEMBL810496 assay format
CHEMBL338420 OBDepict HO O N HN S O O F IC50 = 9.0 nM 480.56 O=C(O)CCC/C=C(/c1cccnc1)c1ccc2c(c1)CC(NS(=O)(=O)c1ccc(F)cc1)C2 Homo sapiens CHEMBL814725 assay format
CHEMBL267820 OBDepict HO O N H 3 C CH 3 Cl Ki = 9.1 nM 395.93 CC(C)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 Homo sapiens CHEMBL871220 single protein format
CHEMBL116342 OBDepict HO O O N N + N O _ O Ki = 9.5 nM 427.42 O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc([N+](=O)[O-])cc31)c1ccccc1CO2 Homo sapiens CHEMBL810496 assay format
CHEMBL115238 OBDepict F N N O O HO Ki = 9.6 nM 400.41 O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc(F)cc31)c1ccccc1CO2 Homo sapiens CHEMBL810496 assay format
CHEMBL117943 OBDepict O N H N N O O HO Ki = 10.0 nM 515.57 O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc(C(=O)NCc4ccccc4)cc31)c1ccccc1CO2 Homo sapiens CHEMBL810496 assay format
CHEMBL115924 OBDepict OH O O S N H O S H 3 C Ki = 10.0 nM 439.56 Cc1ccsc1C(=O)NCCSC1c2ccccc2COc2ccc(C(=O)O)cc21 Homo sapiens CHEMBL811620 assay format
CHEMBL1643785 OBDepict HO O N H HN S O O F Ki = 10.9 nM 402.45 O=C(O)Cc1c2n(c3ccccc13)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2 Homo sapiens CHEMBL1645649 single protein format
CHEMBL7718 OBDepict N HN N NH H 3 C CH 3 H 3 C N O OH IC50 = 11.0 nM 405.5 CC(C)(C)/N=C(NC#N)Nc1cccc(/C(=C/CCCC(=O)O)c2cccnc2)c1 Homo sapiens CHEMBL811637 single protein format
CHEMBL422253 OBDepict CH 3 O N H O S O O OH Ki = 11.0 nM 449.53 COc1ccccc1C(=O)NCCSC1c2ccccc2COc2ccc(C(=O)O)cc21 Homo sapiens CHEMBL879433 assay format
CHEMBL113670 OBDepict HO O O N H S O O Ki = 11.0 nM 421.47 O=C(O)c1ccc2c(c1)/C(=C/CNS(=O)(=O)c1ccccc1)c1ccccc1CO2 Homo sapiens CHEMBL810496 assay format
CHEMBL274287 OBDepict HO O CH 3 CH 3 N N F Br Ki = 11.0 nM 419.29 CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Br)cc1F Homo sapiens CHEMBL811632 assay format
CHEMBL2079673 OBDepict OH O H N F Cl IC50 = 11.2 nM 371.84 O=C(O)C[C@@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 Homo sapiens CHEMBL813574 cell membrane format
CHEMBL261501 OBDepict OH O N S O O CH 3 F Cl Ki = 11.7 nM 435.9 CS(=O)(=O)c1cc(F)cc2c1c(Cc1ccc(Cl)cc1)c1n2CCC1CC(=O)O Homo sapiens CHEMBL935622 single protein format
CHEMBL340504 OBDepict HO O N N H S O O Cl IC50 = 12.0 nM 456.95 O=C(O)C/C=C(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 Homo sapiens CHEMBL814725 assay format
CHEMBL127380 OBDepict OH O N N H S O O Cl IC50 = 12.0 nM 485.01 O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 Homo sapiens CHEMBL814725 assay format
CHEMBL126185 OBDepict Cl S HN O O N N N N H N IC50 = 12.0 nM 509.04 O=S(=O)(NCCc1ccc(/C(=CCCCc2nnn[nH]2)c2cccnc2)cc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL814725 assay format
CHEMBL325523 OBDepict CH 3 O N N O O OH Ki = 12.0 nM 412.45 COc1ccc2ncn(C/C=C3c4ccccc4COc4ccc(C(=O)O)cc43)c2c1 Homo sapiens CHEMBL810496 assay format
CHEMBL17640 OBDepict OH O CH 3 CH 3 N N F Br Ki = 12.0 nM 419.29 CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(Br)cc1 Homo sapiens CHEMBL811632 assay format
CHEMBL17528 OBDepict OH O CH 3 CH 3 N N Cl Cl Cl Ki = 12.0 nM 425.74 CC(C)(CC(=O)O)Cc1nc2cc(Cl)ccc2n1Cc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL811632 assay format
CHEMBL126577 OBDepict HO O N NH S O O Cl IC50 = 13.0 nM 511.04 O=C(O)CCC/C=C(/c1cccnc1)c1ccc2c(c1)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2 Homo sapiens CHEMBL814725 assay format
CHEMBL18093 OBDepict OH O CH 3 CH 3 N N Cl Br Ki = 13.0 nM 435.75 CC(C)(CC(=O)O)Cc1nc2cc(Cl)ccc2n1Cc1ccc(Br)cc1 Homo sapiens CHEMBL811632 assay format
CHEMBL521290 OBDepict HO O N S N CH 3 H 3 C Cl Cl Ki = 13.9 nM 449.4 CC(C)c1ccnc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971469 cell-based format
CHEMBL361812 OBDepict HO O N H N H S O O F IC50 = 14.0 nM 416.47 O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2 Homo sapiens CHEMBL1054927 cell membrane format
CHEMBL326808 OBDepict HO O O S HN S O O + N O _ O Ki = 14.0 nM 500.55 O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1CO2 Homo sapiens CHEMBL879433 assay format
CHEMBL114838 OBDepict HO O O S HN S O O Ki = 14.0 nM 505.62 O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccc3ccccc3c1)c1ccccc1CO2 Homo sapiens CHEMBL879433 assay format
CHEMBL385126 OBDepict OH O H N F O CH 3 Cl Ki = 14.0 nM 399.85 CC(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 Homo sapiens CHEMBL856875 cell-based format
CHEMBL277516 OBDepict HO O CH 3 H 3 C N N F F Br Ki = 15.0 nM 437.28 CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(Br)cc1F Homo sapiens CHEMBL811632 assay format
CHEMBL331833 OBDepict Cl N N O O HO Ki = 15.0 nM 416.86 O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc(Cl)cc31)c1ccccc1CO2 Homo sapiens CHEMBL810496 assay format
CHEMBL198104 OBDepict HO O O N N Ki = 15.0 nM 382.42 O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccccc31)c1ccccc1CO2 Homo sapiens CHEMBL871671 single protein format
CHEMBL444330 OBDepict HO O O S N H S O O + N O _ O Ki = 15.0 nM 500.55 O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1CO2 Homo sapiens CHEMBL811620 assay format
CHEMBL324972 OBDepict _ O O O N N + Na Ki = 15.0 nM 404.4 O=C([O-])c1ccc2c(c1)/C(=CCn1cnc3ccccc31)c1ccccc1CO2.[Na+] Homo sapiens CHEMBL810496 assay format
CHEMBL115536 OBDepict CH 3 N N O O HO Ki = 15.0 nM 396.45 Cc1ccc2c(c1)ncn2C/C=C1c2ccccc2COc2ccc(C(=O)O)cc21 Homo sapiens CHEMBL810496 assay format
CHEMBL2178581 OBDepict OH O O N N Ki = 15.0 nM 396.45 O=C(O)Cc1ccc2c(c1)/C(=C/Cn1cnc3ccccc31)c1ccccc1CO2 Homo sapiens CHEMBL2184409 single protein format
CHEMBL280107 OBDepict OH O N F Cl Ki = 15.3 nM 371.84 O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 Homo sapiens CHEMBL811632 assay format
CHEMBL149724 OBDepict H 3 C OH H H H O O OH Ki = 16.0 nM 350.5 CCCCC[C@H](O)/C=C/[C@H]1C2COC(C2)[C@@H]1C/C=CCCCC(=O)O Homo sapiens CHEMBL947375 single protein format