HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q16873 | LTC4S_HUMAN | Leukotriene C4 synthase (LTC4S)

3D structures mapped by conservation among orthologs

[ Domain: "MAPEG domain-like" // MAPEG ]

download pymol session

[ Domain: pdbs with more than 2 multi-domains ]

download pymol session



[ 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
CHEMBL3903201 OBDepict CH 3 O N N N O H H F F CH 3 H 3 C O OH F F F IC50 = 0.248 nM 473.4 COc1nc(N(CC(C)(C)F)c2cc(C(F)(F)F)ccc2F)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL3888329 single protein format
CHEMBL4549822 OBDepict CH 3 O N N N O H H F CH 3 CH 3 O OH Cl F IC50 = 0.28 nM 439.85 COc1nc(N(CC(C)C)c2cc(Cl)c(F)cc2F)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL3961833 OBDepict CH 3 O N N N O H H F F CH 3 H 3 C O OH Cl F IC50 = 0.289 nM 457.84 COc1nc(N(CC(C)(C)F)c2cc(Cl)c(F)cc2F)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL3888329 single protein format
CHEMBL4567083 OBDepict CH 3 O N N N O H H F CH 3 CH 3 O OH F F F IC50 = 0.36 nM 455.41 COc1nc(N(CC(C)C)c2cc(C(F)(F)F)ccc2F)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL4464773 OBDepict CH 3 O N N O H H CH 3 CH 3 O OH F IC50 = 0.381 nM 436.48 COc1cc(N(CC(C)C)c2ccc(F)c3ccccc23)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL3914270 OBDepict CH 3 N N F N Cl O F H 3 C O H H O OH IC50 = 0.483 nM 425.82 CCCN(c1cnc(C(=O)[C@H]2C[C@@H]2C(=O)O)c(OC)n1)c1cc(Cl)c(F)cc1F Homo sapiens CHEMBL3888329 single protein format
CHEMBL4562583 OBDepict CH 3 O N N O H H F F CH 3 H 3 C O OH Cl F IC50 = 0.6 nM 456.85 COc1cc(N(CC(C)(C)F)c2cc(Cl)c(F)cc2F)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL4563433 OBDepict CH 3 N N O F CH 3 O H H O OH IC50 = 0.626 nM 422.46 CCCN(c1cnc(C(=O)[C@H]2C[C@@H]2C(=O)O)c(OC)c1)c1ccc(F)c2ccccc12 Homo sapiens CHEMBL4378183 assay format
CHEMBL4584584 OBDepict CH 3 O N N O H H F F CH 3 H 3 C O OH F F F IC50 = 0.63 nM 472.41 COc1cc(N(CC(C)(C)F)c2cc(C(F)(F)F)ccc2F)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL3971210 OBDepict CH 3 O N N O H H F CH 3 CH 3 O OH F F F IC50 = 0.658 nM 454.42 COc1cc(N(CC(C)C)c2cc(C(F)(F)F)ccc2F)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL3888329 single protein format
CHEMBL4574439 OBDepict CH 3 O N N O H H F CH 3 CH 3 O OH Cl F IC50 = 0.7 nM 438.86 COc1cc(N(CC(C)C)c2cc(Cl)c(F)cc2F)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL4441362 OBDepict H 3 C O N N O H H O OH F IC50 = 0.758 nM 434.47 COc1cc(N(CC2CC2)c2ccc(F)c3ccccc23)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL4476024 OBDepict CH 3 N N O F H 3 C O H H O OH IC50 = 1.05 nM 408.43 CCN(c1cnc(C(=O)[C@H]2C[C@@H]2C(=O)O)c(OC)c1)c1ccc(F)c2ccccc12 Homo sapiens CHEMBL4378183 assay format
CHEMBL4454609 OBDepict H 3 C O N N O H H O OH Cl IC50 = 1.41 nM 450.92 COc1cc(N(CC2CC2)c2ccc(Cl)c3ccccc23)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL4545014 OBDepict CH 3 O N N O H H F O HO Cl F IC50 = 1.97 nM 436.84 COc1cc(N(CC2CC2)c2cc(Cl)c(F)cc2F)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL4545950 OBDepict H 3 C O N N O H H F O OH F F F IC50 = 2.08 nM 452.4 COc1cc(N(CC2CC2)c2cc(C(F)(F)F)ccc2F)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL4525972 OBDepict CH 3 O N N N O H H O OH IC50 = 2.4 nM 417.47 COc1nc(C(=O)[C@H]2C[C@@H]2C(=O)O)ncc1N(CC1CC1)c1cccc2ccccc12 Homo sapiens CHEMBL4378183 assay format
CHEMBL4467942 OBDepict CH 3 O N N O H H F O HO Cl IC50 = 3.71 nM 418.85 COc1cc(N(CC2CC2)c2cc(Cl)ccc2F)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL4574370 OBDepict CH 3 O N N O H H CH 3 CH 3 O OH F F F IC50 = 4.74 nM 436.43 COc1cc(N(CC(C)C)c2cccc(C(F)(F)F)c2)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL4442047 OBDepict CH 3 O N N O H H O HO Cl Cl IC50 = 4.94 nM 435.31 COc1cc(N(CC2CC2)c2ccc(Cl)c(Cl)c2)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL4576647 OBDepict CH 3 O N N O H H O HO Cl F IC50 = 5.26 nM 418.85 COc1cc(N(CC2CC2)c2ccc(F)c(Cl)c2)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL4567339 OBDepict H 3 C O N N O H H O OH F F F IC50 = 6.42 nM 434.41 COc1cc(N(CC2CC2)c2cccc(C(F)(F)F)c2)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL4439499 OBDepict CH 3 N N O F F F H 3 C O H H O OH IC50 = 7.9 nM 422.4 CCCN(c1cccc(C(F)(F)F)c1)c1cnc(C(=O)[C@H]2C[C@@H]2C(=O)O)c(OC)c1 Homo sapiens CHEMBL4378183 assay format
CHEMBL4439148 OBDepict CH 3 O N N O H H F CH 3 H 3 C O OH F F F IC50 = 8.65 nM 454.42 COc1cc(N(CC(C)(C)F)c2cccc(C(F)(F)F)c2)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL3910305 OBDepict CH 3 O N N O O HO IC50 = 9.0 nM 442.52 COc1cc(N(CC2CC2)c2ccc3c4c(cccc24)CC3)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL4445815 OBDepict CH 3 O N N O H H F F F O OH F F F IC50 = 11.5 nM 462.35 COc1cc(N(CC(F)(F)F)c2cccc(C(F)(F)F)c2)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL4531985 OBDepict H 3 C N N O F F F CH 3 O H H O OH IC50 = 13.0 nM 408.38 CCN(c1cccc(C(F)(F)F)c1)c1cnc(C(=O)[C@H]2C[C@@H]2C(=O)O)c(OC)c1 Homo sapiens CHEMBL4378183 assay format
CHEMBL4565208 OBDepict CH 3 O N N O H H O OH F F F F IC50 = 13.5 nM 488.44 COc1cc(N(Cc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL4456770 OBDepict H 3 C O N N N O H H O OH Cl IC50 = 15.5 nM 451.91 COc1nc(C(=O)[C@@H]2C[C@H]2C(=O)O)ncc1N(CC1CC1)c1ccc(Cl)c2ccccc12 Homo sapiens CHEMBL4378183 assay format
CHEMBL3938992 OBDepict CH 3 O N N N O O HO Cl IC50 = 17.0 nM 451.91 COc1nc(C(=O)C2CC2C(=O)O)ncc1N(CC1CC1)c1ccc(Cl)c2ccccc12 Homo sapiens CHEMBL3888328 assay format
CHEMBL3925432 OBDepict CH 3 O N N N O O HO CH 3 IC50 = 18.0 nM 431.49 COc1nc(C(=O)C2CC2C(=O)O)ncc1N(CC1CC1)c1ccc(C)c2ccccc12 Homo sapiens CHEMBL3888328 assay format
CHEMBL3968407 OBDepict CH 3 O N N O O OH F IC50 = 18.0 nM 434.47 COc1cc(N(CC2CC2)c2ccc(F)c3ccccc23)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3904248 OBDepict CH 3 O N N O O OH Cl IC50 = 18.0 nM 450.92 COc1cc(N(CC2CC2)c2ccc(Cl)c3ccccc23)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3942442 OBDepict CH 3 O O O OH O N N Cl IC50 = 18.0 nM 541.0 COc1cccc(C(=O)c2ccc(C(=O)c3ccc(N(CC4CC4)c4ccc(Cl)cc4)cn3)cc2C(=O)O)c1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3939700 OBDepict H 3 C O N N O O HO F F F IC50 = 19.0 nM 484.47 COc1cc(N(CC2CC2)c2ccc(C(F)(F)F)c3ccccc23)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3947774 OBDepict CH 3 O N N N O O HO F IC50 = 19.0 nM 435.46 COc1nc(C(=O)C2CC2C(=O)O)ncc1N(CC1CC1)c1ccc(F)c2ccccc12 Homo sapiens CHEMBL3888328 assay format
CHEMBL3953858 OBDepict CH 3 O O O HO O N N H 3 C Cl IC50 = 22.0 nM 541.0 COc1ccc(C2(C(=O)c3ccc(C(=O)c4ccc(N(C)c5ccc(Cl)cc5)cn4)cc3C(=O)O)CC2)cc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3962857 OBDepict CH 3 O N N O O OH H 3 C IC50 = 22.0 nM 394.47 COc1cc(N(Cc2ccc(C)cc2)CC2CC2)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3943416 OBDepict CH 3 O N N O O OH IC50 = 24.0 nM 416.48 COc1cc(N(CC2CC2)c2cccc3ccccc23)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL4465323 OBDepict CH 3 O N N O H H O HO Cl IC50 = 24.3 nM 400.86 COc1cc(N(CC2CC2)c2ccc(Cl)cc2)cnc1C(=O)[C@@H]1C[C@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL3972363 OBDepict CH 3 O N N O O OH F F F IC50 = 25.0 nM 484.47 COc1cc(N(CC2CC2)c2cccc3c(C(F)(F)F)cccc23)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3978910 OBDepict CH 3 O N O O OH F IC50 = 26.0 nM 433.48 COc1cc(N(CC2CC2)c2ccc(F)c3ccccc23)ccc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3897151 OBDepict Cl N CH 3 N O O HO O O O IC50 = 27.0 nM 528.95 CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)c3ccc4c(c3)OCCO4)c(C(=O)O)c2)nc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL4440468 OBDepict CH 3 O N N O O OH Cl IC50 = 27.4 nM 436.9 COc1cc(N(CC2CC2)c2ccc(Cl)cc2)cnc1C(=O)c1cccc(C(=O)O)c1 Homo sapiens CHEMBL4378183 assay format
CHEMBL3920940 OBDepict CH 3 O N N O O OH IC50 = 28.0 nM 416.48 COc1cc(N(CC2CC2)c2ccc3ccccc3c2)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3958548 OBDepict CH 3 O O O OH O N N Cl IC50 = 29.0 nM 541.0 COc1ccc(C(=O)c2ccc(C(=O)c3ccc(N(CC4CC4)c4ccc(Cl)cc4)cn3)cc2C(=O)O)cc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3898467 OBDepict Cl N N O O OH O OH IC50 = 30.0 nM 526.98 O=C(c1ccc(C(=O)c2cccc(O)c2)c(C(=O)O)c1)c1ccc(N(CC2CC2)c2ccc(Cl)cc2)cn1 Homo sapiens CHEMBL3880639 assay format
CHEMBL4251024 OBDepict H 3 C CH 3 H 3 C N N Cl O OH IC50 = 30.0 nM 475.03 CC(C)Cc1ccc(C(C)c2nc3cc(CCC(=O)O)ccc3n2Cc2ccccc2Cl)cc1 Homo sapiens CHEMBL4231617 cell-based format
CHEMBL3901235 OBDepict H 3 C O N N O O OH IC50 = 31.0 nM 442.52 COc1cc(N(CC2CC2)c2ccc3cccc4c3c2CC4)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL4466708 OBDepict CH 3 O N N O H H OH CH 3 H 3 C O OH F F F IC50 = 31.8 nM 452.43 COc1cc(N(CC(C)(C)O)c2cccc(C(F)(F)F)c2)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL3956435 OBDepict Cl N CH 3 N O O HO O IC50 = 32.0 nM 553.06 CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)C3(c4ccccc4)CCCCC3)c(C(=O)O)c2)nc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3929575 OBDepict Cl N H 3 C N O O OH O IC50 = 32.0 nM 510.98 CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)C3(c4ccccc4)CC3)c(C(=O)O)c2)nc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3980648 OBDepict CH 3 O N N O O OH IC50 = 34.0 nM 430.5 COc1cc(N(Cc2ccc3ccccc3c2)CC2CC2)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3952129 OBDepict CH 3 O N N O O OH H 3 C IC50 = 35.0 nM 430.5 COc1cc(N(CC2CC2)c2ccc(C)c3ccccc23)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL4460916 OBDepict CH 3 O N H O O OH O N N CH 3 Cl IC50 = 35.0 nM 515.95 COc1ccccc1C(=O)Nc1ccc(C(=O)c2ccc(N(C)c3ccc(Cl)cc3)cn2)cc1C(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL3909825 OBDepict CH 3 O N N O H 3 C O OH Cl IC50 = 38.0 nM 414.89 COc1cc(N(CC2(C)CC2)c2ccc(Cl)cc2)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3937915 OBDepict CH 3 O N N O N N N H N F IC50 = 39.0 nM 458.5 COc1cc(N(CC2CC2)c2ccc(F)c3ccccc23)cnc1C(=O)C1CC1c1nnn[nH]1 Homo sapiens CHEMBL3888328 assay format
CHEMBL3906988 OBDepict CH 3 O N N O O OH Cl IC50 = 39.0 nM 414.89 COc1cc(N(Cc2cccc(Cl)c2)CC2CC2)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3919389 OBDepict Cl N N O O HO O IC50 = 41.0 nM 551.04 O=C(c1ccc(C(=O)C2(c3ccccc3)CC2)c(C(=O)O)c1)c1ccc(N(CC2CC2)c2ccc(Cl)cc2)cn1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3983776 OBDepict CH 3 O N O O OH IC50 = 46.0 nM 415.49 COc1cc(N(CC2CC2)c2cccc3ccccc23)ccc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3961231 OBDepict CH 3 O O O OH O N N F Cl IC50 = 46.0 nM 558.99 COc1ccc(C(=O)c2ccc(C(=O)c3ccc(N(CC4CC4)c4ccc(Cl)cc4F)cn3)cc2C(=O)O)cc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3936884 OBDepict CH 3 O N N O CH 3 O OH IC50 = 47.0 nM 420.51 COc1cc(N(CC2(C)CC2)c2ccc3c(c2)CCC3)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3916445 OBDepict CH 3 O N N N O O HO IC50 = 50.0 nM 417.47 COc1nc(C(=O)C2CC2C(=O)O)ncc1N(CC1CC1)c1cccc2ccccc12 Homo sapiens CHEMBL3888328 assay format
CHEMBL3909369 OBDepict CH 3 O O O HO O N N H 3 C Cl IC50 = 50.0 nM 500.94 COc1ccc(C(=O)c2ccc(C(=O)c3ccc(N(C)c4ccc(Cl)cc4)cn3)cc2C(=O)O)cc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3930479 OBDepict CH 3 O N N O O OH F F F F IC50 = 53.0 nM 466.43 COc1cc(N(Cc2ccc(C(F)(F)F)cc2F)CC2CC2)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3932466 OBDepict Cl N CH 3 N O O HO O F F F IC50 = 54.0 nM 538.91 CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)c3cccc(C(F)(F)F)c3)c(C(=O)O)c2)nc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3920701 OBDepict Cl N CH 3 N O O OH O CH 3 CH 3 IC50 = 55.0 nM 512.99 CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)C(C)(C)c3ccccc3)c(C(=O)O)c2)nc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3975465 OBDepict CH 3 O N N O O OH H 3 C IC50 = 56.0 nM 430.5 COc1cc(N(CC2CC2)c2ccc(C)c3ccccc23)ncc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3961385 OBDepict Cl N CH 3 N O O HO O IC50 = 59.0 nM 505.01 CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)CCC3CCCCC3)c(C(=O)O)c2)nc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3953130 OBDepict Cl N CH 3 N O O HO O O F F F IC50 = 60.0 nM 554.91 CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)c3cccc(OC(F)(F)F)c3)c(C(=O)O)c2)nc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3917485 OBDepict CH 3 O N O O OH Cl IC50 = 61.0 nM 449.93 COc1cc(N(CC2CC2)c2ccc(Cl)c3ccccc23)ccc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3908538 OBDepict CH 3 O N O O OH H 3 C IC50 = 62.0 nM 429.52 COc1cc(N(CC2CC2)c2ccc(C)c3ccccc23)ccc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3922937 OBDepict CH 3 O N O O OH Cl IC50 = 65.0 nM 399.87 COc1cc(N(CC2CC2)c2ccc(Cl)cc2)ccc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3951613 OBDepict Cl N CH 3 N O O HO O IC50 = 65.0 nM 529.04 CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)C34CC5CC(CC(C5)C3)C4)c(C(=O)O)c2)nc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3935671 OBDepict CH 3 O N N O O OH IC50 = 66.0 nM 430.5 COc1cc(N(Cc2cccc3ccccc23)CC2CC2)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3898699 OBDepict CH 3 O N N O O OH CH 3 H 3 C IC50 = 67.0 nM 408.5 COc1cc(N(Cc2cccc(C)c2C)CC2CC2)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3959510 OBDepict CH 3 O N O O OH Cl IC50 = 68.0 nM 413.9 COc1cc(N(Cc2ccc(Cl)cc2)CC2CC2)ccc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3928255 OBDepict CH 3 O N N O HN O S Cl O O IC50 = 68.0 nM 540.04 COc1cc(N(CC2CC2)c2ccc(Cl)cc2)cnc1C(=O)C1CC1C(=O)NS(=O)(=O)c1ccccc1 Homo sapiens CHEMBL3888328 assay format
CHEMBL3983499 OBDepict H 3 C O O O CH 3 O HO O N N H 3 C Cl IC50 = 68.0 nM 530.96 COc1ccc(C(=O)c2ccc(C(=O)c3ccc(N(C)c4ccc(Cl)cc4)cn3)cc2C(=O)O)c(OC)c1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3942668 OBDepict CH 3 O N N O HN O S Cl O O F IC50 = 74.0 nM 558.03 COc1cc(N(CC2CC2)c2ccc(Cl)cc2)cnc1C(=O)C1CC1C(=O)NS(=O)(=O)c1ccccc1F Homo sapiens CHEMBL3888328 assay format
CHEMBL3894959 OBDepict CH 3 O N O O OH CH 3 H 3 C IC50 = 75.0 nM 393.48 COc1cc(N(CC2CC2)c2ccc(C)c(C)c2)ccc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3918897 OBDepict Cl N H 3 C N O O OH O IC50 = 76.0 nM 539.03 CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)C3(c4ccccc4)CCCC3)c(C(=O)O)c2)nc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3949468 OBDepict Cl N H 3 C N O O OH O O O IC50 = 77.0 nM 514.92 CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)c3ccc4c(c3)OCO4)c(C(=O)O)c2)nc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3964233 OBDepict H 3 C O O O H 3 C O HO O N N H 3 C Cl IC50 = 77.0 nM 559.02 CCOc1ccc(C(=O)c2ccc(C(=O)c3ccc(N(C)c4ccc(Cl)cc4)cn3)cc2C(=O)O)cc1OCC Homo sapiens CHEMBL3880639 assay format
CHEMBL3899516 OBDepict O N O OH N O H 3 C F F F IC50 = 78.0 nM 504.46 CN(c1ccc(C(F)(F)F)cc1)c1ccc(C(=O)c2ccc(C(=O)c3ccccc3)c(C(=O)O)c2)nc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3977284 OBDepict H 3 C O N N O N H O S Cl O O O CH 3 IC50 = 81.0 nM 570.07 COc1ccc(S(=O)(=O)NC(=O)C2CC2C(=O)c2ncc(N(CC3CC3)c3ccc(Cl)cc3)cc2OC)cc1 Homo sapiens CHEMBL3888328 assay format
CHEMBL3969203 OBDepict Cl N CH 3 N O O OH O IC50 = 81.0 nM 476.96 CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)CC3CCCC3)c(C(=O)O)c2)nc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3975898 OBDepict CH 3 O N N O O OH Cl IC50 = 86.0 nM 400.86 COc1cc(N(CC2CC2)c2ccc(Cl)cc2)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3952747 OBDepict CH 3 O N N O O OH CH 3 F F F IC50 = 88.0 nM 462.47 COc1cc(N(Cc2cccc(C(F)(F)F)c2C)CC2CC2)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3891539 OBDepict H 3 C O O HO O N N CH 3 Cl IC50 = 90.0 nM 478.98 CCCCCCC(=O)c1ccc(C(=O)c2ccc(N(C)c3ccc(Cl)cc3)cn2)cc1C(=O)O Homo sapiens CHEMBL3880639 assay format
CHEMBL3904404 OBDepict Cl N H 3 C N O O HO O IC50 = 94.0 nM 488.97 CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)C3CC4CCC3C4)c(C(=O)O)c2)nc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3953106 OBDepict CH 3 O N N O N N N H N IC50 = 96.0 nM 440.51 COc1cc(N(CC2CC2)c2cccc3ccccc23)cnc1C(=O)C1CC1c1nnn[nH]1 Homo sapiens CHEMBL3888328 assay format
CHEMBL3981047 OBDepict H 3 C O O O HO O N N H 3 C Cl IC50 = 101.0 nM 514.97 CCOc1ccc(C(=O)c2ccc(C(=O)c3ccc(N(C)c4ccc(Cl)cc4)cn3)cc2C(=O)O)cc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3926899 OBDepict Cl N H 3 C N O O OH O S IC50 = 104.0 nM 476.94 CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)c3cccs3)c(C(=O)O)c2)nc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3925042 OBDepict CH 3 O N N O O OH F IC50 = 105.0 nM 398.43 COc1cc(N(Cc2ccc(F)cc2)CC2CC2)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL4565235 OBDepict H 3 C O N N O O OH Cl IC50 = 109.0 nM 452.94 COc1cc(N(CC2CC2)c2ccc(Cl)c3ccccc23)cnc1C(=O)CCCC(=O)O Homo sapiens CHEMBL4378183 assay format
CHEMBL3961421 OBDepict CH 3 O N N O O OH Cl F F F IC50 = 112.0 nM 482.89 COc1cc(N(Cc2cccc(C(F)(F)F)c2Cl)CC2CC2)cnc1C(=O)C1CC1C(=O)O Homo sapiens CHEMBL3888328 assay format
CHEMBL3950817 OBDepict F O O HO O N N H 3 C Cl IC50 = 126.0 nM 488.9 CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)c3ccc(F)cc3)c(C(=O)O)c2)nc1 Homo sapiens CHEMBL3880639 assay format
CHEMBL3963802 OBDepict H 3 C O O OH O N N Cl IC50 = 129.0 nM 462.93 CCC(=O)c1ccc(C(=O)c2ccc(N(CC3CC3)c3ccc(Cl)cc3)cn2)cc1C(=O)O Homo sapiens CHEMBL3880641 assay format
CHEMBL3951511 OBDepict Cl N CH 3 N O O HO O IC50 = 141.0 nM 510.98 CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)C3CC3c3ccccc3)c(C(=O)O)c2)nc1 Homo sapiens CHEMBL3880639 assay format