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P48449 | LSS_HUMAN | Lanosterol synthase (LSS)

3D structures mapped by conservation among orthologs

[ Domain: "alpha/alpha toroid" // SQHop_cyclase_C ]

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[ Domain: "alpha/alpha toroid" // SQHop_cyclase_N ]

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[ 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
CHEMBL64905 OBDepict CH 3 S CH 3 H 3 C CH 3 CH 3 CH 3 O H 3 C H 3 C IC50 = 0.22 nM 446.79 CC(C)=CCCC(C)SCC/C(C)=C/CC/C=C(C)CC/C=C(C)CCC1OC1(C)C Homo sapiens CHEMBL758669 single protein format
CHEMBL542453 OBDepict CH 2 N CH 3 O O + N O _ O ClH IC50 = 1.9 nM 432.95 C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1.Cl Homo sapiens CHEMBL615200 single protein format
CHEMBL63335 OBDepict CH 3 S H 3 C H 3 C CH 3 H 3 C O H 3 C H 3 C IC50 = 2.3 nM 432.76 CC(C)=CCCSCCC/C(C)=C/CC/C=C(C)CC/C=C(C)CCC1OC1(C)C Homo sapiens CHEMBL758669 single protein format
CHEMBL67133 OBDepict CH 2 N H 3 C O S N Br IC50 = 2.9 nM 459.45 C=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)nsc2c1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL112210 OBDepict OH O O OH CH 2 N H 3 C O S N Br IC50 = 2.9 nM 575.53 C=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)nsc2c1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL615201 single protein format
CHEMBL63524 OBDepict CH 2 N CH 3 O O Br IC50 = 3.0 nM 400.32 C=CCN(C)C/C=C/COc1ccc(C(=O)c2ccc(Br)cc2)cc1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL482527 OBDepict Cl N O N N IC50 = 3.0 nM 391.9 O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccc(-c3ccncc3)cc2)CC1 Homo sapiens CHEMBL956674 single protein format
CHEMBL543877 OBDepict H 2 C N H 3 C O N Br ClH IC50 = 3.5 nM 489.89 C=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)nccc2c1.Cl Homo sapiens CHEMBL615201 single protein format
CHEMBL65024 OBDepict H 2 C N H 3 C O N Br IC50 = 3.5 nM 453.42 C=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)nccc2c1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL115085 OBDepict HO O O OH H 2 C N H 3 C O O N Br IC50 = 4.1 nM 573.48 C=CCN(C)CCCCCCOc1ccc2c(c1)CON=C2c1ccc(Br)cc1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL615201 single protein format
CHEMBL66638 OBDepict CH 2 N CH 3 O O N Br IC50 = 4.1 nM 457.41 C=CCN(C)CCCCCCOc1ccc2c(c1)CON=C2c1ccc(Br)cc1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL116705 OBDepict HO O O OH CH 2 N CH 3 O HN CH 3 O Br IC50 = 4.1 nM 575.5 C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(NC)c1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL615201 single protein format
CHEMBL115020 OBDepict HO O O OH CH 2 N CH 3 O O CH 3 O Br IC50 = 4.6 nM 576.48 C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(OC)c1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL615201 single protein format
CHEMBL135109 OBDepict HO O O OH CH 2 N CH 3 O F O Cl IC50 = 4.6 nM 520.0 C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Cl)cc2)c(F)c1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL758670 single protein format
CHEMBL416694 OBDepict CH 2 N CH 3 O O Br IC50 = 5.4 nM 430.39 C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL114259 OBDepict HO O O OH CH 2 N CH 3 O O Br IC50 = 5.4 nM 546.46 C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL615201 single protein format
CHEMBL116000 OBDepict OH O O OH CH 2 N H 3 C O S Br IC50 = 5.6 nM 574.54 C=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)csc2c1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL615201 single protein format
CHEMBL484125 OBDepict CH 3 N N N N S O O Cl IC50 = 6.0 nM 449.02 CN1CCN(c2ccc(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2)CC1 Homo sapiens CHEMBL956674 single protein format
CHEMBL115923 OBDepict HO O O OH CH 2 N CH 3 O S CH 3 O Br IC50 = 6.2 nM 592.55 C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(SC)c1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL615201 single protein format
CHEMBL115375 OBDepict HO O O OH CH 2 N CH 3 O HO O Br IC50 = 6.3 nM 562.46 C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(O)c1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL615201 single protein format
CHEMBL304858 OBDepict CH 2 N CH 3 O F O Br IC50 = 6.5 nM 448.38 C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL324162 OBDepict HO O O OH CH 2 N CH 3 O F O Br IC50 = 6.5 nM 564.45 C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL615201 single protein format
CHEMBL554209 OBDepict CH 2 N CH 3 O O F ClH IC50 = 6.7 nM 405.94 C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(F)cc2)cc1.Cl Homo sapiens CHEMBL615201 single protein format
CHEMBL2164235 OBDepict OH O O OH CH 3 N CH 3 H H N CH 3 O O Cl IC50 = 7.8 nM 521.05 CCCN(C)CCCC#C[C@H]1CC[C@H](N(C)C(=O)Oc2ccc(Cl)cc2)CC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL2168444 assay format
CHEMBL112693 OBDepict CH 2 N CH 3 O N Br IC50 = 7.9 nM 455.44 C=CCN(C)CCCCCCOc1ccc2c(c1)CCN=C2c1ccc(Br)cc1 Homo sapiens CHEMBL615201 single protein format
CHEMBL114266 OBDepict HO O O OH CH 2 N CH 3 O N O Br IC50 = 8.7 nM 547.45 C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cn1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL615201 single protein format
CHEMBL2164234 OBDepict OH N H 3 C H H N CH 3 O O Cl ClH IC50 = 10.0 nM 457.44 CCN(CCO)CCCC#C[C@H]1CC[C@H](N(C)C(=O)Oc2ccc(Cl)cc2)CC1.Cl Homo sapiens CHEMBL2168444 assay format
CHEMBL2164237 OBDepict HO O O OH OH N CH 3 H H N S CH 3 O O F F F IC50 = 11.2 nM 580.67 CN(CCO)CCCCC[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL2168444 assay format
CHEMBL66412 OBDepict H H N H 3 C O O N Cl IC50 = 11.3 nM 441.02 CN(C(=O)Oc1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(CN3CCCCC3)cc2)CC1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL115884 OBDepict CH 2 N CH 3 O O Br IC50 = 11.4 nM 456.42 C=CCN(C)CCCCCCOc1ccc2c(c1)OCC=C2c1ccc(Br)cc1 Homo sapiens CHEMBL615201 single protein format
CHEMBL419402 OBDepict HO O O OH H 2 C N H 3 C O N N Br IC50 = 12.3 nM 570.48 C=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)ncnc2c1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL615201 single protein format
CHEMBL482526 OBDepict Cl S N O O N N IC50 = 13.0 nM 427.96 O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccc(-c3ccncc3)cc2)CC1 Homo sapiens CHEMBL956674 single protein format
CHEMBL65296 OBDepict CH 2 N H 3 C O S Br IC50 = 13.5 nM 428.4 C=CCN(C)C/C=C/COc1ccc2c(-c3ccc(Br)cc3)csc2c1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL114910 OBDepict HO O O OH OH N CH 3 O O Br IC50 = 15.7 nM 564.47 CN(CCCO)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL615201 single protein format
CHEMBL65230 OBDepict CH 2 N CH 3 O Br IC50 = 16.0 nM 420.35 C=CCN(C)Cc1ccc(-c2ccc(C(=O)c3ccc(Br)cc3)cc2)cc1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL4207987 OBDepict CH 2 N H 3 C N N S H 3 C O O Cl ClH ClH IC50 = 16.0 nM 520.95 C=CCN(C)Cc1ccc(N2CCC(N(C)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1.Cl.Cl Homo sapiens CHEMBL4190096 assay format
CHEMBL62855 OBDepict CH 3 N O O Br IC50 = 19.0 nM 400.32 CN(C/C=C/COc1ccc(C(=O)c2ccc(Br)cc2)cc1)C1CC1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL115497 OBDepict OH O O OH CH 2 N H 3 C O N CH 3 N Br IC50 = 19.6 nM 572.5 C=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)nn(C)c2c1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL615201 single protein format
CHEMBL66424 OBDepict CH 2 N H 3 C O N CH 3 N Br IC50 = 19.6 nM 456.43 C=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)nn(C)c2c1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL482532 OBDepict CH 3 N H 3 C N N O O F F F IC50 = 20.0 nM 421.46 CN(C)Cc1ccc(CN2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 Homo sapiens CHEMBL956674 single protein format
CHEMBL63522 OBDepict H O H N CH 3 O Br IC50 = 22.0 nM 414.34 CN(C[C@H]1C[C@@H]1COc1ccc(C(=O)c2ccc(Br)cc2)cc1)C1CC1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL553281 OBDepict CH 2 N CH 3 O O BrH IC50 = 22.5 nM 432.4 Br.C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccccc2)cc1 Homo sapiens CHEMBL615201 single protein format
CHEMBL483314 OBDepict N S HN O O N H 3 C CH 3 IC50 = 28.0 nM 419.55 CN(C)Cc1ccc(-c2ccc(CCNS(=O)(=O)c3ccc(C#N)cc3)cc2)cc1 Homo sapiens CHEMBL956674 single protein format
CHEMBL2164238 OBDepict H N CH 3 H O O N O HO Cl IC50 = 28.7 nM 422.95 CN(CC[C@H]1CC[C@H](C(=O)N2CCC(O)CC2)CC1)C(=O)Oc1ccc(Cl)cc1 Homo sapiens CHEMBL2168444 assay format
CHEMBL65601 OBDepict CH 2 N H 3 C O O N Br IC50 = 29.0 nM 413.32 C=CCN(C)C/C=C/COc1ccc2c(-c3ccc(Br)cc3)noc2c1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL65730 OBDepict H 2 C N CH 3 O F N CH 3 N Br IC50 = 29.0 nM 444.35 C=CCN(C)C/C=C/COc1cc2c(cc1F)c(-c1ccc(Br)cc1)nn2C Homo sapiens CHEMBL754981 tissue-based format
CHEMBL114747 OBDepict H 3 C N O O Br HO O O HO IC50 = 31.8 nM 560.49 CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1)CC1CC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL615201 single protein format
CHEMBL521168 OBDepict CH 3 N CH 3 N N S O O Cl IC50 = 32.0 nM 407.97 CN(C)Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 Homo sapiens CHEMBL956674 single protein format
CHEMBL484322 OBDepict Cl N O N N N IC50 = 32.0 nM 380.88 O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 Homo sapiens CHEMBL956674 single protein format
CHEMBL25405 OBDepict O Cl O N IC50 = 35.0 nM 341.84 O=C(c1ccc(Cl)cc1)c1ccc(OC2CN3CCC2CC3)cc1 Homo sapiens CHEMBL753712 single protein format
CHEMBL544345 OBDepict H 3 C N O O Br ClH IC50 = 35.3 nM 466.85 CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1)C1CC1.Cl Homo sapiens CHEMBL615201 single protein format
CHEMBL417571 OBDepict Cl N O O N IC50 = 36.0 nM 380.88 O=C(c1ccc(Cl)cc1)N1CCC(=Cc2ccc(C3=NCCO3)cc2)CC1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL70223 OBDepict Br S N O O N O N N N IC50 = 37.0 nM 494.42 O=C(C1CCN(c2ccncn2)CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 Homo sapiens CHEMBL753712 single protein format
CHEMBL66202 OBDepict CH 2 N H 3 C O N H N Br IC50 = 39.0 nM 442.4 C=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)n[nH]c2c1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL455583 OBDepict CH 3 N H 3 C N N O Cl IC50 = 40.0 nM 371.91 CN(C)Cc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 Homo sapiens CHEMBL956674 single protein format
CHEMBL262532 OBDepict CH 3 N O N O F IC50 = 48.0 nM 376.52 CN(CCCCCCOC1CCN(C(=O)c2ccc(F)cc2)CC1)C1CC1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL483918 OBDepict Cl S HN O O N IC50 = 63.0 nM 455.02 O=S(=O)(NCCc1ccc(-c2ccc(CN3CCCC3)cc2)cc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL956674 single protein format
CHEMBL66359 OBDepict CH 2 N CH 3 O N O F IC50 = 71.0 nM 376.52 C=CCN(C)CCCCCCOC1CCN(C(=O)c2ccc(F)cc2)CC1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL292514 OBDepict CH 3 N O F O Br IC50 = 98.0 nM 448.38 CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)C1CC1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL481199 OBDepict CH 2 N CH 3 H H N S CH 3 O O F F F IC50 = 100.0 nM 460.61 C=CCN(C)CCCCC[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 Homo sapiens CHEMBL1036573 assay format
CHEMBL516750 OBDepict Br N S N O IC50 = 100.0 nM 445.43 Brc1ccc(-c2nsc3cc(CCCCCN4CCOCC4)ccc23)cc1 Homo sapiens CHEMBL1036573 assay format
CHEMBL278521 OBDepict H 3 C H N H H HO Ki = 110.0 nM 295.51 CCCCCCCCCC[C@@H]1CC[C@H]2[C@H](O)CCCN2C1 Homo sapiens CHEMBL615209 assay format
CHEMBL359233 OBDepict Br S N O O N O N N N H 3 C IC50 = 112.0 nM 508.44 Cc1nccc(N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)CC2)n1 Homo sapiens CHEMBL753712 single protein format
CHEMBL4212932 OBDepict CH 3 N CH 3 O O N S O O F ClH IC50 = 120.0 nM 458.98 CN(C)CCOc1ccc(OC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1.Cl Homo sapiens CHEMBL4190096 assay format
CHEMBL480049 OBDepict Br N S O N O BrH IC50 = 120.0 nM 528.31 Br.Brc1ccc(-c2nsc3cc(OCCCCN4CCOCC4)ccc23)cc1 Homo sapiens CHEMBL1036573 assay format
CHEMBL148378 OBDepict O N N N S O O N IC50 = 143.0 nM 414.53 O=C(C1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 Homo sapiens CHEMBL753712 single protein format
CHEMBL70222 OBDepict Br S N O O N O N N IC50 = 161.0 nM 493.43 O=C(C1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 Homo sapiens CHEMBL753712 single protein format
CHEMBL278521 OBDepict H 3 C H N H H HO IC50 = 170.0 nM 295.51 CCCCCCCCCC[C@@H]1CC[C@H]2[C@H](O)CCCN2C1 Homo sapiens CHEMBL615208 assay format
CHEMBL293005 OBDepict CH 2 N H H O O Br IC50 = 223.0 nM 440.38 C=CCN(C[C@H]1C[C@@H]1COc1ccc(C(=O)c2ccc(Br)cc2)cc1)C1CC1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL4210513 OBDepict CH 3 N H 3 C N N S H 3 C O O Cl ClH ClH IC50 = 230.0 nM 494.92 CN(C)Cc1ccc(N2CCC(N(C)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1.Cl.Cl Homo sapiens CHEMBL4190096 assay format
CHEMBL520270 OBDepict OH N CH 3 S N Br IC50 = 230.0 nM 443.41 CCN(CCO)CCCC#Cc1ccc2c(-c3ccc(Br)cc3)nsc2c1 Homo sapiens CHEMBL1036573 assay format
CHEMBL305157 OBDepict CH 2 N CH 3 O N H 3 C N H 3 C IC50 = 240.0 nM 315.46 C=CCN(C)CCCCCCOc1ccc2c(C)nn(C)c2c1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL481608 OBDepict CH 2 N CH 3 O Br ClH IC50 = 250.0 nM 456.81 C=CCN(C)Cc1ccc(-c2ccc(C(=O)c3ccc(Br)cc3)cc2)cc1.Cl Homo sapiens CHEMBL1036573 assay format
CHEMBL516921 OBDepict CH 2 N H 3 C O S N Br IC50 = 260.0 nM 431.4 C=CCN(C)CCCCOc1ccc2c(-c3ccc(Br)cc3)nsc2c1 Homo sapiens CHEMBL1036573 assay format
CHEMBL479653 OBDepict CH 3 N O O Br ClH IC50 = 270.0 nM 436.78 CN(C/C=C/COc1ccc(C(=O)c2ccc(Br)cc2)cc1)C1CC1.Cl Homo sapiens CHEMBL1036573 assay format
CHEMBL132091 OBDepict CH 3 N H 3 C O IC50 = 280.0 nM 255.36 CN(C)CCCOc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL758673 single protein format
CHEMBL482528 OBDepict Cl N N N IC50 = 316.0 nM 377.92 Clc1ccc(CN2CCN(Cc3ccc(-c4ccncc4)cc3)CC2)cc1 Homo sapiens CHEMBL956674 single protein format
CHEMBL305328 OBDepict CH 2 N H 3 C O O N Br IC50 = 380.0 nM 443.38 C=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)noc2c1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL277446 OBDepict H 3 C H N H H HO IC50 = 430.0 nM 295.51 CCCCCCCCCC[C@H]1CC[C@H]2[C@H](O)CCCN2C1 Homo sapiens CHEMBL827084 assay format
CHEMBL292084 OBDepict CH 3 N H H O F O Br IC50 = 439.0 nM 432.33 CN(C[C@H]1C[C@@H]1COc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)C1CC1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL520926 OBDepict CH 3 N H 3 C H H N S CH 3 O O F F F IC50 = 440.0 nM 488.66 CCN(CC)C1(CCCC[C@H]2CC[C@H](N(C)S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 Homo sapiens CHEMBL1036573 assay format
CHEMBL473035 OBDepict OH O O OH OH N H 3 C H H N S CH 3 O O F F F IC50 = 450.0 nM 594.69 CCN(CCO)CCCCC[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL1036573 assay format
CHEMBL65553 OBDepict CH 2 N H 3 C O O Br IC50 = 500.0 nM 412.33 C=CCN(C)C/C=C/COc1ccc2c(-c3ccc(Br)cc3)coc2c1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL482523 OBDepict Cl S N O O N N IC50 = 500.0 nM 427.96 O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2cccc(-c3ccncc3)c2)CC1 Homo sapiens CHEMBL956674 single protein format
CHEMBL277446 OBDepict H 3 C H N H H HO Ki = 510.0 nM 295.51 CCCCCCCCCC[C@H]1CC[C@H]2[C@H](O)CCCN2C1 Homo sapiens CHEMBL615209 assay format
CHEMBL3764585 OBDepict CH 3 N Cl N CH 3 IC50 = 510.0 nM 342.91 CN1CCC(c2ccc(CN(C)Cc3ccc(Cl)cc3)cc2)CC1 Homo sapiens CHEMBL3767666 assay format
CHEMBL479464 OBDepict OH N CH 3 O S N Br ClH IC50 = 520.0 nM 485.88 CCN(CCO)CCCCOc1ccc2c(-c3ccc(Br)cc3)nsc2c1.Cl Homo sapiens CHEMBL1036573 assay format
CHEMBL64906 OBDepict CH 3 S CH 3 CH 3 O H 3 C H 3 C CH 3 CH 3 CH 3 IC50 = 540.0 nM 446.79 CC(C)=CCC/C(C)=C/CC/C(C)=C/CCSC(C)CC/C=C(C)CCC1OC1(C)C Homo sapiens CHEMBL758669 single protein format
CHEMBL445353 OBDepict CH 2 N H 3 C O O Br IC50 = 610.0 nM 442.4 C=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)coc2c1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL291640 OBDepict H H N CH 3 O O + N _ O Cl IC50 = 640.0 nM 457.01 CN(C(=O)Oc1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(C[N+]3([O-])CCCCC3)cc2)CC1 Homo sapiens CHEMBL754981 tissue-based format
CHEMBL481015 OBDepict OH N OH H H N S CH 3 O O F F F IC50 = 720.0 nM 494.62 CN([C@H]1CC[C@H](CCCCCN(CCO)CCO)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL1036573 assay format
CHEMBL246993 OBDepict CH 3 O CH 3 CH 3 N H 3 C CH 3 IC50 = 850.0 nM 309.54 CCCCCCOC/C=C(C)CC/C=C(C)CCCN(C)C Homo sapiens CHEMBL902127 cell-based format
CHEMBL2377449 OBDepict CH 2 N H 3 C H 3 C H CH 3 H H 3 C CH 3 IC50 = 1000.0 nM 359.64 C=CCN(C)CCCC1=C2CC[C@H]([C@H](C)CCCC(C)C)[C@@]2(C)CCC1 Homo sapiens CHEMBL2379126 assay format
CHEMBL357084 OBDepict H 2 C CH 3 H 3 C H 3 C CH 3 CH 3 O CH 3 H 3 C IC50 = 1000.0 nM 438.74 C=C/C(=CCC/C(C)=C/CC/C=C(C)CC/C=C(C)CCC1OC1(C)C)CCC=C(C)C Homo sapiens CHEMBL758671 single protein format