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Q15722 | LT4R1_HUMAN | Leukotriene B4 receptor 1 (LTB4R)

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
CHEMBL355401 OBDepict CH 3 O O CH 3 N O O O CH 3 O HO IC50 < 0.1 nM 539.67 CCCc1c(OCCCOc2ccc(C(=O)N3CCCC3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 Homo sapiens CHEMBL709306 single protein format
CHEMBL422388 OBDepict CH 3 O O H 3 C NH O O CH 3 H 3 C O H 3 C O OH IC50 = 0.1 nM 527.66 CCCc1c(OCCCOc2ccc(C(=O)NC(C)C)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 Homo sapiens CHEMBL709306 single protein format
CHEMBL167350 OBDepict CH 3 O O O HO O O CH 3 CH 3 N O CH 3 CH 3 IC50 = 0.15 nM 513.63 CCCc1c(OCCCOc2ccc(C(=O)N(C)C)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 Homo sapiens CHEMBL709306 single protein format
CHEMBL340460 OBDepict CH 3 O OH O O O O OH O OH Ki = 0.57 nM 582.61 CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O Homo sapiens CHEMBL706760 single protein format
CHEMBL90214 OBDepict HO O N O S Cl Cl Ki = 0.8 nM 460.38 O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 Homo sapiens CHEMBL709862 single protein format
CHEMBL167804 OBDepict CH 3 O O O HO O O CH 3 CH 3 HN O CH 3 IC50 = 0.85 nM 499.6 CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 Homo sapiens CHEMBL709306 single protein format
CHEMBL95453 OBDepict CH 3 O O O O O OH O HO Ki = 1.0 nM 554.68 CCCc1c(OCCCCCCc2cccc(OCCCCC(=O)O)c2CCC(=O)O)ccc2c1OCCC2=O Homo sapiens CHEMBL709859 single protein format
CHEMBL86900 OBDepict CH 3 O O O O O HO O OH Ki = 1.0 nM 568.71 CCCc1c(OCCCCCCc2cccc(OCCCCCC(=O)O)c2CCC(=O)O)ccc2c1OCCC2=O Homo sapiens CHEMBL709864 single protein format
CHEMBL137759 OBDepict OH O O N O O IC50 = 1.0 nM 405.45 O=C(O)CCCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 Homo sapiens CHEMBL704375 cell membrane format
CHEMBL112520 OBDepict CH 3 HO N OH O _ O + Li Ki = 1.0 nM 417.48 CCCCCCCCC(O)/C=C/c1cccc(CC(O)c2cccc(C(=O)[O-])c2)n1.[Li+] Homo sapiens CHEMBL874155 assay format
CHEMBL112487 OBDepict CH 3 HO N OH O HO Ki = 1.0 nM 411.54 CCCCCCCCC(O)/C=C/c1cccc(CC(O)c2cccc(C(=O)O)c2)n1 Homo sapiens CHEMBL761976 assay format
CHEMBL262231 OBDepict CH 3 O HO O F O O HO O OH Ki = 1.1 nM 574.6 CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cccc(Oc2ccc(C(=O)O)cc2)c1CCC(=O)O Homo sapiens CHEMBL711830 single protein format
CHEMBL62265 OBDepict CH 3 O HO O F O OH O OH Ki = 1.1 nM 534.58 CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc(C#CCCC(=O)O)cc1CCC(=O)O Homo sapiens CHEMBL711830 single protein format
CHEMBL127913 OBDepict CH 3 O O N S O OH Cl Cl Ki = 1.2 nM 490.41 COc1ccc(CCOc2ccc(CSc3c(Cl)cccc3Cl)nc2/C=C/C(=O)O)cc1 Homo sapiens CHEMBL709861 single protein format
CHEMBL127376 OBDepict HO O N O S Cl Cl Cl Ki = 1.3 nM 494.83 O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(Cl)cc1 Homo sapiens CHEMBL709861 single protein format
CHEMBL419948 OBDepict CH 3 O O H O O OH O CH 3 HN O CH 3 IC50 = 1.3 nM 539.67 CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@H](CCC(=O)O)CC2 Homo sapiens CHEMBL709304 single protein format
CHEMBL419948 OBDepict CH 3 O O H O O OH O CH 3 HN O CH 3 Ki = 1.3 nM 539.67 CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@H](CCC(=O)O)CC2 Homo sapiens CHEMBL709859 single protein format
CHEMBL126976 OBDepict HO O N O S Cl Cl Ki = 1.4 nM 474.41 O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCCc1ccccc1 Homo sapiens CHEMBL709861 single protein format
CHEMBL337995 OBDepict CH 3 O O N S O OH Cl Cl Ki = 1.5 nM 518.46 COc1ccc(CCCCOc2ccc(CSc3c(Cl)cccc3Cl)nc2/C=C/C(=O)O)cc1 Homo sapiens CHEMBL709861 single protein format
CHEMBL123722 OBDepict HO O N O S Cl Cl F Ki = 1.5 nM 478.37 O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(F)cc1 Homo sapiens CHEMBL709861 single protein format
CHEMBL328492 OBDepict CH 3 O O O O OH O CH 3 HN O CH 3 IC50 = 1.5 nM 539.67 CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(CCC(=O)O)CC2 Homo sapiens CHEMBL709304 single protein format
CHEMBL65061 OBDepict CH 3 HO H OH H O OH Ki = 1.9 nM 336.47 CCCCC/C=CC[C@@H](O)/C=C/C=C/C=C[C@@H](O)CCCC(=O)O Homo sapiens CHEMBL706760 single protein format
CHEMBL65061 OBDepict CH 3 HO H OH H O OH IC50 = 1.9 nM 336.47 CCCCC/C=CC[C@@H](O)/C=C/C=C/C=C[C@@H](O)CCCC(=O)O Homo sapiens CHEMBL706534 single protein format
CHEMBL294987 OBDepict CH 3 O O O HO O OH CH 3 O CH 3 Ki = 1.93 nM 444.52 CCCc1c(OCCCOc2cc(O)c(OC)cc2CC)ccc2c1OC(C(=O)O)CC2 Homo sapiens CHEMBL705023 cell membrane format
CHEMBL136991 OBDepict OH O O N NH 2 IC50 = 2.0 nM 376.46 Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 Homo sapiens CHEMBL704375 cell membrane format
CHEMBL328712 OBDepict O N CH 3 O HO O Ki = 2.0 nM 453.54 CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 Homo sapiens CHEMBL709859 single protein format
CHEMBL137074 OBDepict CH 3 O HO O N Cl O O IC50 = 2.0 nM 453.92 CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1)C(=O)O Homo sapiens CHEMBL704375 cell membrane format
CHEMBL137336 OBDepict CH 3 O O N CH 3 O OH IC50 = 2.0 nM 405.49 COc1cccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)c1 Homo sapiens CHEMBL704375 cell membrane format
CHEMBL123862 OBDepict CH 3 O O N S O OH Ki = 2.8 nM 449.57 COc1ccc(CCCCOc2ccc(CSc3ccccc3)nc2/C=C/C(=O)O)cc1 Homo sapiens CHEMBL709861 single protein format
CHEMBL294987 OBDepict CH 3 O O O HO O OH CH 3 O CH 3 IC50 = 2.9 nM 444.52 CCCc1c(OCCCOc2cc(O)c(OC)cc2CC)ccc2c1OC(C(=O)O)CC2 Homo sapiens CHEMBL709312 single protein format
CHEMBL137504 OBDepict HO O O N IC50 = 3.0 nM 361.44 O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 Homo sapiens CHEMBL704375 cell membrane format
CHEMBL113288 OBDepict H 3 C O HO N OH O _ O + Li Ki = 3.0 nM 453.46 CCCCOc1cccc(C(O)/C=C/c2cccc(CC(O)c3cccc(C(=O)[O-])c3)n2)c1.[Li+] Homo sapiens CHEMBL874155 assay format
CHEMBL99099 OBDepict CH 3 O O O OH O O H 3 C N S IC50 = 3.2 nM 537.68 CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 Homo sapiens CHEMBL708407 single protein format
CHEMBL58495 OBDepict H 3 C O O H O HO O O N CH 3 S Ki = 3.2 nM 551.71 CCCc1c(OCCCOc2ccc(-c3cscn3)c(COC)c2CC2CC2)ccc2c1O[C@@H](C(=O)O)CC2 Homo sapiens CHEMBL872555 single protein format
CHEMBL416277 OBDepict CH 3 O OH H 3 C O O O H 3 C O OH Ki = 3.51 nM 458.55 CCCc1c(OCCCOc2cc(O)c(OCC)cc2CC)ccc2c1OC(C(=O)O)CC2 Homo sapiens CHEMBL705023 cell membrane format
CHEMBL422420 OBDepict CH 3 O O O O OH O OH Ki = 3.7 nM 470.56 COc1ccc(/C=C/CCCCOc2cccc(OCCCCC(=O)O)c2CCC(=O)O)cc1 Homo sapiens CHEMBL709863 single protein format
CHEMBL88337 OBDepict CH 3 O O CH 3 HO O O O O HO O OH IC50 = 4.0 nM 548.54 CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O Homo sapiens CHEMBL709304 single protein format
CHEMBL137581 OBDepict OH O H 3 C O N IC50 = 4.0 nM 375.47 CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O Homo sapiens CHEMBL704375 cell membrane format
CHEMBL344230 OBDepict HO O CH 3 O N F IC50 = 4.0 nM 393.46 CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2F)n1)C(=O)O Homo sapiens CHEMBL704375 cell membrane format
CHEMBL137531 OBDepict CH 3 O O N CH 3 O HO IC50 = 4.0 nM 405.49 COc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 Homo sapiens CHEMBL704375 cell membrane format
CHEMBL89326 OBDepict CH 3 O O N O CH 3 CH 3 CH 3 H 3 C O HN NH 2 IC50 = 4.0 nM 455.6 COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(C(=N)N)cc1 Homo sapiens CHEMBL706922 single protein format
CHEMBL88337 OBDepict CH 3 O O CH 3 HO O O O O HO O OH Ki = 4.0 nM 548.54 CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O Homo sapiens CHEMBL706760 single protein format
CHEMBL416277 OBDepict CH 3 O OH H 3 C O O O H 3 C O OH IC50 = 4.2 nM 458.55 CCCc1c(OCCCOc2cc(O)c(OCC)cc2CC)ccc2c1OC(C(=O)O)CC2 Homo sapiens CHEMBL709312 single protein format
CHEMBL137341 OBDepict CH 3 O HO O N O O IC50 = 4.2 nM 419.48 CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O Homo sapiens CHEMBL704375 cell membrane format
CHEMBL81401 OBDepict H 3 C O O O HO O OH CH 3 N N H IC50 = 4.5 nM 480.56 CCCc1c(OCCCOc2cc(O)c(-c3cc[nH]n3)cc2CC)ccc2c1OC(C(=O)O)CC2 Homo sapiens CHEMBL704422 single protein format
CHEMBL328712 OBDepict O N CH 3 O HO O IC50 = 4.7 nM 453.54 CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 Homo sapiens CHEMBL707235 cell-based format
CHEMBL112338 OBDepict CH 3 O O N + S O OH _ O NH 2 Ki = 4.7 nM 536.69 COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(N)c3)nc2/C=C/C(=O)O)cc1 Homo sapiens CHEMBL761976 assay format
CHEMBL48667 OBDepict CH 3 O OH CH 3 O CH 3 CH 3 N N N _ N + Na IC50 = 4.8 nM 384.46 CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O.[Na+] Homo sapiens CHEMBL709312 single protein format
CHEMBL115658 OBDepict OH O N O S O HO Ki = 4.8 nM 477.58 O=C(O)/C=C/c1nc(CSCc2cccc(C(=O)O)c2)ccc1OCCCCc1ccccc1 Homo sapiens CHEMBL709859 single protein format
CHEMBL15648 OBDepict CH 3 O O O OH O HO CH 3 O H 3 C Ki = 4.96 nM 430.5 CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OCC(=O)O Homo sapiens CHEMBL709166 cell membrane format
CHEMBL137494 OBDepict Cl O N CH 3 O OH IC50 = 5.0 nM 409.91 CC(CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O Homo sapiens CHEMBL704375 cell membrane format
CHEMBL137472 OBDepict CH 3 N H O N O OH IC50 = 5.0 nM 390.48 CNc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 Homo sapiens CHEMBL704375 cell membrane format
CHEMBL137247 OBDepict NH 2 O N CH 3 O OH IC50 = 5.0 nM 390.48 CC(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O Homo sapiens CHEMBL704375 cell membrane format
CHEMBL136960 OBDepict Cl O N CH 3 O OH IC50 = 5.0 nM 409.91 CC(CCCCOc1cc(-c2cccc(Cl)c2)cc(-c2ccccc2)n1)C(=O)O Homo sapiens CHEMBL704375 cell membrane format
CHEMBL135671 OBDepict OH O H 3 C H 3 C O N IC50 = 5.0 nM 389.5 CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O Homo sapiens CHEMBL704375 cell membrane format
CHEMBL62051 OBDepict H 3 C O CH 3 OH H 3 C CH 3 N N N _ N + Na Ki = 5.14 nM 368.46 CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O.[Na+] Homo sapiens CHEMBL709164 single protein format
CHEMBL354553 OBDepict CH 3 O O O OH O O CH 3 CH 3 N N N H IC50 = 5.2 nM 509.6 CCCc1c(OCCCOc2ccc(-c3c[nH]nn3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 Homo sapiens CHEMBL708407 single protein format
CHEMBL167474 OBDepict H 3 C O O O HO O O CH 3 N H O CH 3 IC50 = 5.3 nM 511.62 CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 Homo sapiens CHEMBL709306 single protein format
CHEMBL60617 OBDepict CH 3 OH CH 3 O CH 3 CH 3 N N N _ N + Na Ki = 5.53 nM 382.48 CCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O.[Na+] Homo sapiens CHEMBL709164 single protein format
CHEMBL325637 OBDepict CH 3 O O N S O OH O HO Ki = 5.7 nM 563.72 COc1ccc(CCCCCCCCOc2ccc(CSCc3ccc(C(=O)O)cc3)nc2/C=C/C(=O)O)cc1 Homo sapiens CHEMBL709859 single protein format
CHEMBL79991 OBDepict CH 3 O HO N N H O O OH IC50 = 5.7 nM 410.47 CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1cccc(CCC(=O)O)c1 Homo sapiens CHEMBL704422 single protein format
CHEMBL139969 OBDepict CH 3 O + S _ O O O OH HO CH 3 F Ki = 5.9 nM 576.69 CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1[S+]([O-])c1ccccc1C(=O)O Homo sapiens CHEMBL704378 tissue-based format
CHEMBL46820 OBDepict H 3 C O O CH 3 OH H 3 C CH 3 N N N _ N + Na IC50 = 6.0 nM 370.43 CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1.[Na+] Homo sapiens CHEMBL709312 single protein format
CHEMBL342416 OBDepict HO O CH 3 O N Cl IC50 = 6.0 nM 409.91 CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2Cl)n1)C(=O)O Homo sapiens CHEMBL704376 assay format
CHEMBL49210 OBDepict CH 3 O O O O O OH O OH IC50 = 6.2 nM 516.55 COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 Homo sapiens CHEMBL706534 single protein format
CHEMBL407983 OBDepict CH 3 O OH N N H CH 3 H 3 C N N N H N IC50 = 6.4 nM 384.48 CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 Homo sapiens CHEMBL704422 single protein format
CHEMBL305560 OBDepict CH 3 OH CH 3 O CH 3 CH 3 N N N _ N + Na Ki = 6.51 nM 396.51 CCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O.[Na+] Homo sapiens CHEMBL709164 single protein format
CHEMBL416259 OBDepict CH 3 O OH CH 3 O CH 3 CH 3 N N N _ N + Na IC50 = 6.6 nM 426.54 CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O.[Na+] Homo sapiens CHEMBL707241 single protein format
CHEMBL137104 OBDepict H 2 N O N H 3 C H 3 C O HO IC50 = 6.6 nM 404.51 CC(C)(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O Homo sapiens CHEMBL704375 cell membrane format
CHEMBL137330 OBDepict OH O CH 3 H 3 C O N O O IC50 = 7.0 nM 433.5 CC(C)(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O Homo sapiens CHEMBL704375 cell membrane format
CHEMBL337563 OBDepict H 3 C N N N N O N IC50 = 7.0 nM 399.5 CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)n1cnnn1 Homo sapiens CHEMBL704375 cell membrane format
CHEMBL126463 OBDepict CH 3 O O N O H 3 C CH 3 CH 3 CH 3 O O N NH 2 IC50 = 7.0 nM 455.56 COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCOc1ccc2c(N)noc2c1 Homo sapiens CHEMBL706537 single protein format
CHEMBL422598 OBDepict CH 3 O O N S O OH O HO Ki = 7.1 nM 563.72 COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 Homo sapiens CHEMBL706923 single protein format
CHEMBL49302 OBDepict CH 3 O O O O OH O OH Ki = 7.8 nM 502.56 COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 Homo sapiens CHEMBL709167 cell membrane format
CHEMBL325773 OBDepict CH 3 O O N S O OH O HO Ki = 8.0 nM 565.73 COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2CCC(=O)O)cc1 Homo sapiens CHEMBL709859 single protein format
CHEMBL51770 OBDepict OH O O H HO H IC50 = 8.4 nM 428.53 O=C(O)C1(c2ccc3c(c2)OC[C@H](Cc2ccc(-c4ccccc4)cc2)[C@H]3O)CCCC1 Homo sapiens CHEMBL706922 single protein format
CHEMBL167669 OBDepict CH 3 O O H O O OH O CH 3 HN O CH 3 IC50 = 8.5 nM 539.67 CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@@H](CCC(=O)O)CC2 Homo sapiens CHEMBL709306 single protein format
CHEMBL112972 OBDepict CH 3 O O N S O OH O HO Ki = 9.2 nM 507.61 COc1ccc(CCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 Homo sapiens CHEMBL709859 single protein format
CHEMBL312483 OBDepict CH 3 O OH N N CH 3 CH 3 H 3 C N N N H N IC50 = 9.3 nM 398.51 CCc1cc(-c2ccn(C)n2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 Homo sapiens CHEMBL704422 single protein format
CHEMBL326397 OBDepict CH 3 OH N OH O _ O + Li Ki = 10.0 nM 441.5 CCCCCCCCC(O)c1ccc2ccc(CC(O)c3cccc(C(=O)[O-])c3)nc2c1.[Li+] Homo sapiens CHEMBL874155 assay format
CHEMBL137303 OBDepict OH O O N F F F IC50 = 10.0 nM 429.44 O=C(O)CCCCCOc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 Homo sapiens CHEMBL704375 cell membrane format
CHEMBL136243 OBDepict N O N N N N IC50 = 10.0 nM 385.47 c1ccc(-c2cc(OCCCCCn3cnnn3)nc(-c3ccccc3)c2)cc1 Homo sapiens CHEMBL704375 cell membrane format
CHEMBL136805 OBDepict CH 3 O O N H 3 C CH 3 O HO IC50 = 10.0 nM 393.48 COc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 Homo sapiens CHEMBL704374 cell membrane format
CHEMBL125611 OBDepict O N CH 3 N O O HO CH 3 IC50 = 10.0 nM 482.58 CN(O)C(=O)c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1 Homo sapiens CHEMBL704370 tissue-based format
CHEMBL136094 OBDepict HO O O N F IC50 = 10.0 nM 379.43 O=C(O)CCCCCOc1cc(-c2ccccc2F)cc(-c2ccccc2)n1 Homo sapiens CHEMBL704375 cell membrane format
CHEMBL15559 OBDepict CH 3 O O O _ O O OH CH 3 O CH 3 + Na Ki = 10.3 nM 478.52 CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)[O-])CC2.[Na+] Homo sapiens CHEMBL709166 cell membrane format
CHEMBL112018 OBDepict OH O N O + S _ O NH 2 Ki = 11.0 nM 506.67 Nc1cccc([S+]([O-])Cc2ccc(OCCCCCCCCc3ccccc3)c(/C=C/C(=O)O)n2)c1 Homo sapiens CHEMBL761976 assay format
CHEMBL78605 OBDepict CH 3 O OH N N H O O HO IC50 = 11.0 nM 396.44 CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1cccc(CC(=O)O)c1 Homo sapiens CHEMBL704422 single protein format
CHEMBL326909 OBDepict OH O N O + S _ O NH 2 F Ki = 12.0 nM 524.66 Nc1cccc([S+]([O-])Cc2ccc(OCCCCCCCCc3ccc(F)cc3)c(/C=C/C(=O)O)n2)c1 Homo sapiens CHEMBL761976 assay format
CHEMBL127341 OBDepict HO O N O S Cl Cl F Ki = 12.0 nM 464.35 O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCc1ccc(F)cc1 Homo sapiens CHEMBL709861 single protein format
CHEMBL47716 OBDepict CH 3 O O OH H 3 C CH 3 CH 3 H 3 C N N N _ N + Na IC50 = 12.0 nM 398.48 CCc1cc(OC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1.[Na+] Homo sapiens CHEMBL707241 single protein format
CHEMBL49302 OBDepict CH 3 O O O O OH O OH IC50 = 12.0 nM 502.56 COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 Homo sapiens CHEMBL879635 single protein format
CHEMBL310870 OBDepict H 3 C O OH N N H O O OH IC50 = 12.0 nM 396.44 CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1ccccc1CC(=O)O Homo sapiens CHEMBL704422 single protein format
CHEMBL172168 OBDepict CH 3 O O O O OH O CH 3 N S IC50 = 12.3 nM 565.73 CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(CCC(=O)O)CC2 Homo sapiens CHEMBL708407 single protein format
CHEMBL137089 OBDepict CH 3 O N CH 3 O OH IC50 = 13.0 nM 389.5 Cc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 Homo sapiens CHEMBL704375 cell membrane format
CHEMBL112737 OBDepict OH O N O + S _ O NH 2 F F F Ki = 14.0 nM 574.66 Nc1cccc([S+]([O-])Cc2ccc(OCCCCCCCCc3ccc(C(F)(F)F)cc3)c(/C=C/C(=O)O)n2)c1 Homo sapiens CHEMBL761976 assay format
CHEMBL48667 OBDepict CH 3 O OH CH 3 O CH 3 CH 3 N N N _ N + Na Ki = 14.2 nM 384.46 CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O.[Na+] Homo sapiens CHEMBL705023 cell membrane format
CHEMBL416259 OBDepict CH 3 O OH CH 3 O CH 3 CH 3 N N N _ N + Na Ki = 14.3 nM 426.54 CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O.[Na+] Homo sapiens CHEMBL709164 single protein format
CHEMBL138380 OBDepict OH O H 3 C CH 3 O N IC50 = 15.0 nM 403.52 CC(C)(CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O Homo sapiens CHEMBL704375 cell membrane format
CHEMBL137497 OBDepict Cl O N CH 3 CH 3 O OH IC50 = 15.0 nM 397.9 CC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)C(=O)O Homo sapiens CHEMBL704374 cell membrane format