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P21453 | S1PR1_HUMAN | Sphingosine 1-phosphate receptor 1 (S1PR1)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_2 ]

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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
CHEMBL3806205 OBDepict CH 3 H H H 2 N O P O OH HO IC50 = 0.01 nM 409.51 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 Homo sapiens CHEMBL3807062 cell-based format
CHEMBL4637401 OBDepict CH 3 O H H H 2 N O P O OH HO IC50 = 0.014 nM 459.52 COc1ccccc1CC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 Homo sapiens CHEMBL4767216 cell membrane format
CHEMBL4752394 OBDepict H 3 C O H H H 2 N O P O OH HO IC50 = 0.016 nM 425.51 COCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 Homo sapiens CHEMBL4736698 cell membrane format
CHEMBL4786296 OBDepict CH 3 O H H H 2 N O P O OH HO IC50 = 0.04 nM 411.48 CCOCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 Homo sapiens CHEMBL4736698 cell membrane format
CHEMBL3701824 OBDepict CH 3 O N N O N N N O HO Ki = 0.1 nM 465.55 COCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cnn1C1CCCCC1 Homo sapiens CHEMBL3705394 cell-based format
CHEMBL115554 OBDepict CH 3 H 2 N H P HO H O OH HO IC50 = 0.1 nM 371.46 CCCCCCCCc1ccc(CC[C@@H](N)C[C@@H](O)P(=O)(O)O)cc1 Homo sapiens CHEMBL806167 cell-based format
CHEMBL4474984 OBDepict OH O H N OH N N O O N F F F IC50 = 0.11 nM 542.51 O=C(O)C[C@H]1CCCN(CC(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 Homo sapiens CHEMBL4426198 cell-based format
CHEMBL3671362 OBDepict OH OH H O CH 3 CH 3 N N O F IC50 = 0.12 nM 468.57 Cc1cc(-c2noc(CCC3(c4ccc(F)cc4)CCCCC3)n2)cc(C)c1OC[C@@H](O)CO Homo sapiens CHEMBL3705958 cell-based format
CHEMBL4569675 OBDepict CH 3 N O O N N HO NH O OH IC50 = 0.13 nM 462.51 CCCc1c(-c2nc(-c3ccc(C(O)CNCCC(=O)O)cc3)no2)noc1-c1ccccc1 Homo sapiens CHEMBL4426198 cell-based format
CHEMBL515921 OBDepict CH 3 O F N H O NH 2 CH 3 O P O HO OH IC50 = 0.14 nM 420.42 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1F Homo sapiens CHEMBL1029035 single protein format
CHEMBL184879 OBDepict CH 3 N H P O OH OH IC50 = 0.16 nM 381.5 CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 Homo sapiens CHEMBL833009 cell-based format
CHEMBL225155 OBDepict H 3 C OH H NH 2 H O P O OH OH IC50 = 0.16 nM 379.48 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O Homo sapiens CHEMBL806167 cell-based format
CHEMBL190006 OBDepict H 3 C NH 2 O OH P O OH HO IC50 = 0.16 nM 387.46 CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 Homo sapiens CHEMBL1101466 cell-based format
CHEMBL113344 OBDepict CH 3 H 2 N P HO O OH HO IC50 = 0.16 nM 371.46 CCCCCCCCc1ccc(CCC(N)CC(O)P(=O)(O)O)cc1 Homo sapiens CHEMBL806167 cell-based format
CHEMBL181597 OBDepict H 3 C N H H H P O OH OH IC50 = 0.16 nM 395.52 CCCCCCCCCc1ccc(CN[C@H]2CCC[C@H](P(=O)(O)O)C2)cc1 Homo sapiens CHEMBL833009 cell-based format
CHEMBL118860 OBDepict H 3 C N H P O OH OH IC50 = 0.2 nM 355.46 CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 Homo sapiens CHEMBL800921 cell-based format
CHEMBL470511 OBDepict CH 3 NH 2 N N O H P O OH HO O IC50 = 0.2 nM 459.48 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCCc3ccccc3)cc2)c[nH]1 Homo sapiens CHEMBL980648 single protein format
CHEMBL473156 OBDepict O N H NH 2 H 3 C O P O OH OH O IC50 = 0.21 nM 436.45 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 Homo sapiens CHEMBL980648 single protein format
CHEMBL3676128 OBDepict OH O N N N O F IC50 = 0.21 nM 463.55 O=C(O)C1CN(Cc2ccc(-c3noc(CCC4(c5ccc(F)cc5)CCCCC4)n3)cc2)C1 Homo sapiens CHEMBL3705958 cell-based format
CHEMBL4457691 OBDepict H 3 C N O O N N OH N H O OH IC50 = 0.21 nM 516.6 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@H](CC(=O)O)C4)cc3)no2)noc1-c1ccccc1 Homo sapiens CHEMBL4426198 cell-based format
CHEMBL1093823 OBDepict H N N H 2 N H 3 C O P O OH HO O F F F IC50 = 0.23 nM 547.47 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 Homo sapiens CHEMBL1108112 cell-based format
CHEMBL3661077 OBDepict CH 3 O O N CH 3 N N O OH Ki = 0.23 nM 483.57 COCc1cc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)O)CC4)no2)ccc1-c1ccccc1C Homo sapiens CHEMBL3705071 cell-based format
CHEMBL1093429 OBDepict O N H NH 2 H 3 C O P O OH OH O F F F IC50 = 0.24 nM 538.46 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1 Homo sapiens CHEMBL1108112 cell-based format
CHEMBL474689 OBDepict CH 3 O N N H H 2 N H 3 C O P O OH HO IC50 = 0.26 nM 425.47 CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1 Homo sapiens CHEMBL1029035 single protein format
CHEMBL366208 OBDepict H 3 C NH 2 O OH P O OH HO IC50 = 0.28 nM 387.46 CCCCCCCCc1ccc(CC[C@](N)(CO)COP(=O)(O)O)cc1 Homo sapiens CHEMBL1657525 cell-based format
CHEMBL1161691 OBDepict CH 3 NH 2 O OH P HO HO OH H IC50 = 0.28 nM 389.47 CCCCCCCCc1ccc(CCC(N)(CO)CO[PH](O)(O)O)cc1 Homo sapiens CHEMBL833009 cell-based format
CHEMBL114606 OBDepict H 3 C NH 2 O OH P O OH HO IC50 = 0.28 nM 387.46 CCCCCCCCc1ccc(CCC(N)(CO)COP(=O)(O)O)cc1 Homo sapiens CHEMBL806167 cell-based format
CHEMBL333335 OBDepict CH 3 O N H P O OH OH IC50 = 0.3 nM 371.46 CCCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 Homo sapiens CHEMBL800922 cell-based format
CHEMBL3686140 OBDepict O N H OH N O H 3 C CH 3 N N O O N F F F IC50 = 0.3 nM 529.48 CN(C)C(=O)CCNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 Homo sapiens CHEMBL3705475 cell-based format
CHEMBL117130 OBDepict H 3 C O H 2 N P OH O OH OH IC50 = 0.3 nM 373.43 CCCCCCCCc1ccc(CCC(N)(CO)OP(=O)(O)O)cc1 Homo sapiens CHEMBL800921 cell-based format
CHEMBL119413 OBDepict H 3 C O Cl N H P O OH OH IC50 = 0.3 nM 391.88 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Cl Homo sapiens CHEMBL800922 cell-based format
CHEMBL3676126 OBDepict OH O N N N O O F IC50 = 0.31 nM 479.55 O=C(O)C1CN(Cc2ccc(-c3noc(COCC4(c5ccc(F)cc5)CCCCC4)n3)cc2)C1 Homo sapiens CHEMBL3705958 cell-based format
CHEMBL184349 OBDepict CH 3 N P O OH HO IC50 = 0.33 nM 367.47 CCCCCCCCCc1ccc(CN2CCC(P(=O)(O)O)C2)cc1 Homo sapiens CHEMBL833009 cell-based format
CHEMBL474688 OBDepict H 3 C O F N H O H 2 N CH 3 O P O OH OH IC50 = 0.35 nM 420.42 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)c(F)c1 Homo sapiens CHEMBL1029035 single protein format
CHEMBL473269 OBDepict CH 3 O F N N H H 2 N H 3 C O P O OH HO IC50 = 0.35 nM 443.46 CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1F Homo sapiens CHEMBL1029035 single protein format
CHEMBL119354 OBDepict H 3 C O Br N H P O OH OH IC50 = 0.4 nM 436.33 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Br Homo sapiens CHEMBL800922 cell-based format
CHEMBL119440 OBDepict H 3 C O H 3 C CH 3 N H P O OH OH IC50 = 0.4 nM 385.49 CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1C Homo sapiens CHEMBL800922 cell-based format
CHEMBL198976 OBDepict OH O N N N O IC50 = 0.4 nM 403.48 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCCC5)cc4)n3)cc2)C1 Homo sapiens CHEMBL880429 cell-based format
CHEMBL441826 OBDepict H 3 C O Br O CH 3 N H P O OH OH IC50 = 0.4 nM 494.41 CCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC Homo sapiens CHEMBL800922 cell-based format
CHEMBL381872 OBDepict OH O N N N O F F F IC50 = 0.4 nM 431.41 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(CCC(F)(F)F)cc4)n3)cc2)C1 Homo sapiens CHEMBL880429 cell-based format
CHEMBL3933363 OBDepict HO H 2 N N N N CH 3 O H 3 C CH 3 IC50 = 0.4 nM 392.5 Cc1cc(C2=NC(c3ccc4c(c3)CC(N)(CO)CC4)N=N2)ccc1OC(C)C Homo sapiens CHEMBL3888305 assay format
CHEMBL3897804 OBDepict HO H 2 N N O N O F F F H 3 C CH 3 IC50 = 0.4 nM 447.46 CC(C)Oc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1C(F)(F)F Homo sapiens CHEMBL3888305 assay format
CHEMBL3686125 OBDepict O N H HN HO CH 3 CH 3 O OH N N O O N F F F IC50 = 0.46 nM 573.53 CC(C)(O)CNC(=O)CCNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 Homo sapiens CHEMBL3705475 cell-based format
CHEMBL4461520 OBDepict OH O H N OH N N O O N F F F IC50 = 0.47 nM 528.49 O=C(O)[C@H]1CCCN(CC(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 Homo sapiens CHEMBL4426198 cell-based format
CHEMBL3671363 OBDepict OH O N N N O F IC50 = 0.47 nM 477.58 O=C(O)C1CN(Cc2ccc(-c3noc(CCCC4(c5ccc(F)cc5)CCCCC4)n3)cc2)C1 Homo sapiens CHEMBL3705958 cell-based format
CHEMBL3661078 OBDepict HO O N N N O F F F H 3 C Ki = 0.49 nM 493.49 Cc1ccccc1-c1ccc(-c2nc(-c3ccc4c(c3)CN(CC(=O)O)CC4)no2)cc1C(F)(F)F Homo sapiens CHEMBL3705071 cell-based format
CHEMBL331054 OBDepict H 3 C O CH 3 N H P O OH OH IC50 = 0.5 nM 371.46 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1C Homo sapiens CHEMBL800922 cell-based format
CHEMBL323617 OBDepict CH 3 O N N N H P O OH OH IC50 = 0.5 nM 395.44 CCCCCCCc1nc(-c2ccc(CNCCCP(=O)(O)O)cc2)no1 Homo sapiens CHEMBL800922 cell-based format
CHEMBL119382 OBDepict H 3 C N N N N HN P O OH HO IC50 = 0.5 nM 395.44 CCCCCCCn1nnc(-c2ccc(CNCCCP(=O)(O)O)cc2)n1 Homo sapiens CHEMBL800922 cell-based format
CHEMBL4469843 OBDepict CH 3 N O O N N OH N H H H O OH IC50 = 0.51 nM 502.57 CCCc1c(-c2nc(-c3ccc(C(O)CN[C@H]4CCC[C@H]4C(=O)O)cc3)no2)noc1-c1ccccc1 Homo sapiens CHEMBL4426198 cell-based format
CHEMBL3928616 OBDepict Cl N N N O IC50 = 0.54 nM 367.88 Clc1cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)ccn1 Homo sapiens CHEMBL3887587 cell-based format
CHEMBL3676132 OBDepict OH O N N N O Cl IC50 = 0.54 nM 494.04 O=C(O)C1CN(Cc2ccc(-c3noc(CCCC4(c5ccc(Cl)cc5)CCCCC4)n3)cc2)C1 Homo sapiens CHEMBL3705958 cell-based format
CHEMBL3954922 OBDepict CH 3 H 3 C O N F F F O N N O HO IC50 = 0.57 nM 475.47 CC(C)Cc1onc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)c1C(F)(F)F Homo sapiens CHEMBL3887737 cell-based format
CHEMBL3701825 OBDepict OH O N N N O N N O Ki = 0.6 nM 505.62 O=C(O)C1CCN(Cc2ccc(-c3noc(-c4cnn(C5CCCCC5)c4C4CCCO4)n3)cc2)CC1 Homo sapiens CHEMBL3705394 cell-based format
CHEMBL3661081 OBDepict HO O N N N O F F F H 3 C Ki = 0.6 nM 507.51 Cc1ccccc1-c1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)O)CC4)no2)cc1C(F)(F)F Homo sapiens CHEMBL3705071 cell-based format
CHEMBL119116 OBDepict H 3 C O Cl Cl N H P O OH OH IC50 = 0.6 nM 426.32 CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1Cl Homo sapiens CHEMBL800922 cell-based format
CHEMBL119256 OBDepict CH 3 N H P O OH OH IC50 = 0.6 nM 341.43 CCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 Homo sapiens CHEMBL800922 cell-based format
CHEMBL425428 OBDepict CH 3 H 3 C O N N O N O HO IC50 = 0.6 nM 421.5 CC(C)Cc1ccc(-c2nc(COc3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 Homo sapiens CHEMBL868516 cell-based format
CHEMBL194419 OBDepict CH 3 H 3 C O N N N O HO IC50 = 0.6 nM 391.47 CC(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 Homo sapiens CHEMBL880429 cell-based format
CHEMBL4093489 OBDepict CH 3 O H 3 C O CH 3 N O HO Ki = 0.626 nM 435.56 CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 Homo sapiens CHEMBL4032312 cell-based format
CHEMBL3930827 OBDepict OH O N N O N O F F F IC50 = 0.66 nM 495.46 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 Homo sapiens CHEMBL3887737 cell-based format
CHEMBL4440968 OBDepict H 3 C N O O N N OH N O HO IC50 = 0.69 nM 488.54 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 Homo sapiens CHEMBL4426198 cell-based format
CHEMBL3640922 OBDepict OH O H H N H H O H HO N N O O N F F F IC50 = 0.7 nM 570.52 O=C(O)[C@@H]1CCCC[C@H]1N[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@@H]1O Homo sapiens CHEMBL3706087 cell-based format
CHEMBL119873 OBDepict H 3 C O F N H P O OH OH IC50 = 0.7 nM 375.42 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1F Homo sapiens CHEMBL800922 cell-based format
CHEMBL210520 OBDepict HO O H N H H N N O IC50 = 0.7 nM 431.54 O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)N1 Homo sapiens CHEMBL866347 cell-based format
CHEMBL3701818 OBDepict OH O N N N O N N O Ki = 0.7 nM 491.59 O=C(O)C1CN(Cc2ccc(-c3noc(-c4cnn(C5CCCCC5)c4C4CCOCC4)n3)cc2)C1 Homo sapiens CHEMBL3705394 cell-based format
CHEMBL3661072 OBDepict CH 3 O O N CH 3 N N O OH Ki = 0.7 nM 469.54 COCc1cc(-c2nc(-c3ccc4c(c3)CN(CC(=O)O)CC4)no2)ccc1-c1ccccc1C Homo sapiens CHEMBL3705071 cell-based format
CHEMBL475495 OBDepict CH 3 O N H O NH 2 CH 3 O P O HO OH IC50 = 0.73 nM 402.43 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1 Homo sapiens CHEMBL1029035 single protein format
CHEMBL3661079 OBDepict HO O N N N O N F F F H 3 C Ki = 0.75 nM 514.55 CC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)O)CC4)no2)cc1C(F)(F)F Homo sapiens CHEMBL3705071 cell-based format
CHEMBL432067 OBDepict H 3 C NH 2 O P O OH HO IC50 = 0.76 nM 357.43 CCCCCCCCc1ccc(CCC(N)COP(=O)(O)O)cc1 Homo sapiens CHEMBL806167 cell-based format
CHEMBL516380 OBDepict O N H NH 2 H 3 C O P O OH OH O CH 3 IC50 = 0.78 nM 484.49 Cc1ccccc1-c1ccc(CCOc2ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc2)cc1 Homo sapiens CHEMBL980648 single protein format
CHEMBL4076530 OBDepict CH 3 O O N CH 3 N O O OH Ki = 0.8 nM 430.46 COCc1cc(-c2nc(-c3cccc(OCC(=O)O)c3)no2)ccc1-c1ccccc1C Homo sapiens CHEMBL4029458 cell-based format
CHEMBL3661070 OBDepict N N O N CH 3 N N H Ki = 0.8 nM 399.5 CC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CNCC4)no2)cc1C#N Homo sapiens CHEMBL3705071 cell-based format
CHEMBL3661080 OBDepict HO O N N N O N F F F H 3 C Ki = 0.8 nM 500.52 CC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CN(CC(=O)O)CC4)no2)cc1C(F)(F)F Homo sapiens CHEMBL3705071 cell-based format
CHEMBL195014 OBDepict OH O N N N O H F F IC50 = 0.8 nM 439.46 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 Homo sapiens CHEMBL880429 cell-based format
CHEMBL208838 OBDepict HO O H N H H N N O H F F IC50 = 0.8 nM 453.49 O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 Homo sapiens CHEMBL864688 cell-based format
CHEMBL1088820 OBDepict O N H NH 2 H 3 C O P O OH OH Cl O IC50 = 0.8 nM 504.91 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(Cl)c1 Homo sapiens CHEMBL1108112 cell-based format
CHEMBL210257 OBDepict HO O H N H H N N O H F F IC50 = 0.8 nM 453.49 O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 Homo sapiens CHEMBL866347 cell-based format
CHEMBL3701821 OBDepict HO O NH N N O N N O Ki = 0.8 nM 479.58 O=C(O)CCNCc1ccc(-c2noc(-c3cnn(C4CCCCC4)c3C3CCOCC3)n2)cc1 Homo sapiens CHEMBL3705394 cell-based format
CHEMBL474407 OBDepict O N H NH 2 H 3 C O P O OH OH O Cl IC50 = 0.84 nM 504.91 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3Cl)cc2)cc1 Homo sapiens CHEMBL980648 single protein format
CHEMBL3686139 OBDepict HO HN O OH N N O O N F F F IC50 = 0.85 nM 474.4 O=C(NCCO)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 Homo sapiens CHEMBL3705475 cell-based format
CHEMBL115970 OBDepict H 3 C O N H P O OH OH IC50 = 0.9 nM 369.44 CCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 Homo sapiens CHEMBL800922 cell-based format
CHEMBL198415 OBDepict OH O N N N O H F F IC50 = 0.9 nM 439.46 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc([C@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 Homo sapiens CHEMBL880429 cell-based format
CHEMBL515917 OBDepict CH 3 NH 2 N N O H P O OH HO O IC50 = 0.9 nM 445.46 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCc3ccccc3)cc2)c[nH]1 Homo sapiens CHEMBL980648 single protein format
CHEMBL473238 OBDepict O N H NH 2 H 3 C O P O OH OH O IC50 = 0.9 nM 484.49 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCc2ccc(-c3ccccc3)cc2)cc1 Homo sapiens CHEMBL980648 single protein format
CHEMBL116981 OBDepict CH 3 N H P O OH OH IC50 = 0.9 nM 389.48 CCCCCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)cc2)cc1 Homo sapiens CHEMBL800922 cell-based format
CHEMBL3942289 OBDepict CH 3 H 3 C F F F O N N O HO IC50 = 0.98 nM 484.52 CC(C)Cc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F Homo sapiens CHEMBL3887737 cell-based format
CHEMBL3699119 OBDepict H 3 C O N N F O + N N O _ O CH 3 Ki = 1.0 nM 412.42 COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c([N+](=O)[O-])c2)n1 Homo sapiens CHEMBL3706114 cell-based format
CHEMBL3699127 OBDepict CH 3 O N N F O N F F F Ki = 1.0 nM 421.39 COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)n1 Homo sapiens CHEMBL3706114 cell-based format
CHEMBL3661071 OBDepict CH 3 O O N CH 3 N N H Ki = 1.0 nM 411.51 COCc1cc(-c2nc(-c3ccc4c(c3)CNCC4)no2)ccc1-c1ccccc1C Homo sapiens CHEMBL3705071 cell-based format
CHEMBL3741414 OBDepict CH 3 O H H 2 N O P O OH HO IC50 < 1.0 nM 399.47 CCCCCCCCOc1ccc([C@@H]2CC[C@](N)(COP(=O)(O)O)C2)cc1 Homo sapiens CHEMBL3744622 cell-based format
CHEMBL4587424 OBDepict CH 3 N O O N N OH N H O OH IC50 = 1.0 nM 502.57 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@H](C(=O)O)C4)cc3)no2)noc1-c1ccccc1 Homo sapiens CHEMBL4426198 cell-based format
CHEMBL211006 OBDepict HO O H N H H N N O IC50 = 1.0 nM 417.51 O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)cc4)n3)cc2)C1 Homo sapiens CHEMBL864688 cell-based format
CHEMBL514170 OBDepict H N N H 2 N H 3 C O P O OH HO O IC50 = 1.03 nM 479.47 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 Homo sapiens CHEMBL980648 single protein format
CHEMBL475405 OBDepict O N H NH 2 H 3 C O P O OH OH O IC50 = 1.05 nM 470.46 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 Homo sapiens CHEMBL980648 single protein format
CHEMBL3661082 OBDepict CH 3 O O N CH 3 N N O OH Ki = 1.1 nM 483.57 COCc1cc(-c2nc(-c3ccc4c(c3)CCN(CCC(=O)O)C4)no2)ccc1-c1ccccc1C Homo sapiens CHEMBL3705071 cell-based format
CHEMBL119349 OBDepict OH P O OH N H IC50 = 1.1 nM 355.46 O=P(O)(O)CCCNCCCCCCCCCCc1ccccc1 Homo sapiens CHEMBL800921 cell-based format
CHEMBL3945798 OBDepict HO H 2 N O N N CH 3 O H 3 C CH 3 IC50 = 1.2 nM 393.49 Cc1cc(-c2noc(-c3ccc4c(c3)CCC(N)(CO)C4)n2)ccc1OC(C)C Homo sapiens CHEMBL3888305 assay format
CHEMBL425563 OBDepict OH O N O S F F F IC50 = 1.2 nM 447.48 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 Homo sapiens CHEMBL868516 cell-based format
CHEMBL118815 OBDepict CH 3 O Br O H 3 C N H P O OH OH IC50 = 1.2 nM 508.43 CCCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC Homo sapiens CHEMBL800922 cell-based format