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P39900 | MMP12_HUMAN | Macrophage metalloelastase (MMP12)

3D structures mapped by conservation among orthologs

[ Domain: "Metalloproteases ("zincins") catalytic domain" // Peptidase_M10 ]

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[ Domain: "4-bladed" // Hemopexin ]

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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
CHEMBL1935286 OBDepict CH 3 H 3 C NH H O HO S O O O O Cl IC50 = 0.1 nM 447.9 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3ccc(Cl)o3)cc12)C(=O)O Homo sapiens CHEMBL1937507 single protein format
CHEMBL1935285 OBDepict CH 3 H 3 C NH H O OH S O O O O CH 3 IC50 = 0.1 nM 427.48 Cc1ccc(-c2ccc3oc4cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)ccc4c3c2)o1 Homo sapiens CHEMBL1937507 single protein format
CHEMBL1935287 OBDepict CH 3 H 3 C NH H O HO S O O O S IC50 = 0.2 nM 429.52 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3cccs3)cc12)C(=O)O Homo sapiens CHEMBL1937507 single protein format
CHEMBL573715 OBDepict OH NH O S O O O O H 3 C IC50 = 0.2 nM 413.45 COc1ccc(Oc2ccc(S(=O)(=O)c3ccccc3CC(=O)NO)cc2)cc1 Homo sapiens CHEMBL1042351 single protein format
CHEMBL1935288 OBDepict CH 3 H 3 C NH H O OH S O O O S CH 3 IC50 = 0.2 nM 443.55 Cc1ccc(-c2ccc3oc4cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)ccc4c3c2)s1 Homo sapiens CHEMBL1937507 single protein format
CHEMBL179288 OBDepict HO NH O N H S O H 3 C CH 3 O O H 3 C CH 3 IC50 = 0.2 nM 406.5 CC(C)ON([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL1042351 single protein format
CHEMBL111856 OBDepict HO NH O HN S O O O O F IC50 = 0.24 nM 410.42 O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCOCC1 Homo sapiens CHEMBL719133 single protein format
CHEMBL1935304 OBDepict CH 3 H 3 C NH H O HO S O O O N N O O IC50 = 0.3 nM 485.52 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3noc(C4CCOC4)n3)cc12)C(=O)O Homo sapiens CHEMBL1937507 single protein format
CHEMBL561312 OBDepict CH 3 O N H O S S NH O O H O HO CH 3 H 3 C IC50 = 0.4 nM 436.51 COC(=O)Nc1ccc2sc3cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)ccc3c2c1 Homo sapiens CHEMBL1062301 single protein format
CHEMBL1935284 OBDepict CH 3 H 3 C NH H O HO S O O O O IC50 = 0.4 nM 413.45 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3ccoc3)cc12)C(=O)O Homo sapiens CHEMBL1937507 single protein format
CHEMBL1935290 OBDepict CH 3 H 3 C NH H O HO S O O O N H IC50 = 0.4 nM 412.47 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3ccc[nH]3)cc12)C(=O)O Homo sapiens CHEMBL1937507 single protein format
CHEMBL1935280 OBDepict CH 3 H 3 C NH H O HO S O O O N N F F F IC50 = 0.7 nM 481.45 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-n3ccc(C(F)(F)F)n3)cc12)C(=O)O Homo sapiens CHEMBL1937507 single protein format
CHEMBL523683 OBDepict O N H HN S O S NH O O H O HO CH 3 H 3 C IC50 = 0.9 nM 487.56 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)Nc3ccsc3)cc12)C(=O)O Homo sapiens CHEMBL960887 assay format
CHEMBL2337131 OBDepict OH N H O N S O O Cl Cl O IC50 = 0.93 nM 493.37 O=C(NO)C1c2ccc(Oc3ccccc3)cc2CCN1S(=O)(=O)c1cc(Cl)ccc1Cl Homo sapiens CHEMBL2341924 single protein format
CHEMBL366111 OBDepict OH N H O OH O H S O O O Cl Cl IC50 = 0.95 nM 476.33 O=C(NO)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Homo sapiens CHEMBL832397 single protein format
CHEMBL2385483 OBDepict OH N H O H N S O O O H 3 C Ki = 1.0 nM 328.39 COc1ccc(CCS(=O)(=O)N2CCC[C@H]2C(=O)NO)cc1 Homo sapiens CHEMBL2388547 single protein format
CHEMBL1935289 OBDepict CH 3 H 3 C NH H O HO S O O O N N H IC50 < 1.0 nM 413.46 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3cc[nH]n3)cc12)C(=O)O Homo sapiens CHEMBL1937507 single protein format
CHEMBL1935291 OBDepict CH 3 H 3 C NH H O HO S O O O N S IC50 = 1.0 nM 430.51 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3nccs3)cc12)C(=O)O Homo sapiens CHEMBL1937507 single protein format
CHEMBL187092 OBDepict OH N H O H N S CH 3 OH O O O Cl F IC50 < 1.0 nM 472.92 C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3Cl)cc2)[C@H]1C(=O)NO Homo sapiens CHEMBL4013269 single protein format
CHEMBL4764575 OBDepict CH 3 N H O NH H O H N H N H O NH H 2 N H H H 3 C H 3 C HN O O OH Ki = 1.0 nM 561.68 CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1 Homo sapiens CHEMBL4705903 single protein format
CHEMBL3675573 OBDepict O NH H N H O O HO O OH Ki = 1.05 nM 564.64 O=C(O)CC[C@H](NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)Nc1cccc(CC(=O)O)c1 Homo sapiens CHEMBL3707909 single protein format
CHEMBL493356 OBDepict O N H HN S O S NH O O H O HO CH 3 H 3 C IC50 = 1.1 nM 515.61 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)NCCc3cccs3)cc12)C(=O)O Homo sapiens CHEMBL960887 assay format
CHEMBL4751015 OBDepict HO NH O H H O N H O H 3 C H 3 C H O OH Ki = 1.1 nM 392.45 CC(C)C[C@H]1C(=O)N[C@H](C(=O)O)Cc2ccc(cc2)OCCC[C@@H]1C(=O)NO Homo sapiens CHEMBL4705903 single protein format
CHEMBL1935292 OBDepict CH 3 H 3 C NH H O OH S O O O N S CH 3 IC50 = 1.2 nM 444.53 Cc1cnc(-c2ccc3oc4cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)ccc4c3c2)s1 Homo sapiens CHEMBL1937507 single protein format
CHEMBL4739996 OBDepict OH HN O H H O N H O CH 3 CH 3 H NH O H O OH O HO Ki = 1.2 nM 521.57 CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)Cc2ccc(cc2)OCCC[C@@H]1C(=O)NO Homo sapiens CHEMBL4705903 single protein format
CHEMBL550038 OBDepict CH 3 H 3 C NH H O HO S O O O N O O IC50 = 1.4 nM 432.45 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(N3CCOC3=O)cc12)C(=O)O Homo sapiens CHEMBL1062301 single protein format
CHEMBL1935300 OBDepict CH 3 H 3 C NH H O HO S O O O N N O IC50 = 1.6 nM 455.49 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3noc(C4CC4)n3)cc12)C(=O)O Homo sapiens CHEMBL1937507 single protein format
CHEMBL3675563 OBDepict H HN N H O O H O OH O NH 2 O HO Ki = 1.63 nM 559.62 NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 Homo sapiens CHEMBL3707909 single protein format
CHEMBL77163 OBDepict CH 3 HN O HN H H 3 C CH 3 H 3 C O P O OH Cl IC50 = 1.7 nM 583.11 CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Cl)cc1)CP(=O)(O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Homo sapiens CHEMBL719132 single protein format
CHEMBL3958969 OBDepict OH N H O N S O O O N H O N N H O IC50 = 1.8 nM 543.6 O=C(NCc1cccc(OCCCS(=O)(=O)N2CCCCC2C(=O)NO)c1)c1nc2ccccc2c(=O)[nH]1 Homo sapiens CHEMBL3868405 single protein format
CHEMBL561311 OBDepict CH 3 O N H O S S NH O O H O HO CH 3 H 3 C IC50 = 1.8 nM 436.51 COC(=O)Nc1ccc2sc3cc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)ccc3c2c1 Homo sapiens CHEMBL1062301 single protein format
CHEMBL3675592 OBDepict H N H N H O O H O HO O NH 2 O HO S H 3 C Ki = 1.84 nM 503.58 Cc1ccc(-c2ccc(CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(N)=O)cc2)s1 Homo sapiens CHEMBL3707909 single protein format
CHEMBL1935298 OBDepict CH 3 O O N N O S NH O O H O HO CH 3 H 3 C IC50 = 1.9 nM 459.48 COCc1nc(-c2ccc3oc4cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)ccc4c3c2)no1 Homo sapiens CHEMBL1937507 single protein format
CHEMBL1232492 OBDepict H N H N H O O H O HO O H 2 N O OH S Ki = 1.92 nM 565.65 NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1 Homo sapiens CHEMBL3707909 single protein format
CHEMBL523034 OBDepict CH 3 O N H O O S NH O O H O HO CH 3 H 3 C IC50 = 2.0 nM 420.44 COC(=O)Nc1ccc2oc3cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)ccc3c2c1 Homo sapiens CHEMBL960887 assay format
CHEMBL2409699 OBDepict CH 3 O O N S O O CH 3 N H O N H O IC50 = 2.0 nM 411.48 CCOc1ccc(OC2CCN(S(=O)(=O)C[C@@]3(C)NC(=O)NC3=O)CC2)cc1 Homo sapiens CHEMBL2410678 single protein format
CHEMBL3355722 OBDepict H 2 N NH H O NH 2 O N H H O H N H O CH 3 CH 3 OH IC50 = 2.0 nM 463.58 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O Homo sapiens CHEMBL3380040 single protein format
CHEMBL2385487 OBDepict OH N H O H N S O O Ki = 2.0 nM 374.46 O=C(NO)[C@H]1CCCN1S(=O)(=O)CCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL2388547 single protein format
CHEMBL550148 OBDepict OH HN O NH S O O Ki = 2.0 nM 306.34 O=C(CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)NO Homo sapiens CHEMBL2388547 single protein format
CHEMBL523201 OBDepict F O NH O O S NH O O H O HO CH 3 H 3 C IC50 = 2.1 nM 452.46 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)OCCF)cc12)C(=O)O Homo sapiens CHEMBL960887 assay format
CHEMBL3675568 OBDepict H NH NH O O CH 3 H O HO O H 2 N Ki = 2.2 nM 501.58 C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(N)=O Homo sapiens CHEMBL3707909 single protein format
CHEMBL3675543 OBDepict H 3 C N H H N H O O H O H 2 N O OH N S Ki = 2.2 nM 496.59 CC[C@H](NC(=O)CCc1ccc(-c2nc3ccccc3s2)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O Homo sapiens CHEMBL3707909 single protein format
CHEMBL1935283 OBDepict CH 3 H 3 C NH H O HO S O O O N O IC50 = 2.2 nM 432.5 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(N3CCOCC3)cc12)C(=O)O Homo sapiens CHEMBL1937507 single protein format
CHEMBL1935299 OBDepict CH 3 H 3 C NH H O HO S O O O N N O F F F IC50 = 2.2 nM 483.42 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3noc(C(F)(F)F)n3)cc12)C(=O)O Homo sapiens CHEMBL1937507 single protein format
CHEMBL1935301 OBDepict CH 3 H 3 C NH H O HO S O O O N N O IC50 = 2.3 nM 469.52 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3noc(C4CCC4)n3)cc12)C(=O)O Homo sapiens CHEMBL1937507 single protein format
CHEMBL4761188 OBDepict OH O N H H O H 2 N O S IC50 = 2.5 nM 408.48 NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2cc(-c3ccccc3)cs2)cc1 Homo sapiens CHEMBL4668444 single protein format
CHEMBL3675599 OBDepict H N H N H O O H O HO O H 2 N O HO S Ki = 2.56 nM 551.62 NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1 Homo sapiens CHEMBL3707909 single protein format
CHEMBL3675593 OBDepict H HN HN O O H O OH O H 2 N O OH S Ki = 2.58 nM 565.65 NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)s2)cc1 Homo sapiens CHEMBL3707909 single protein format
CHEMBL118497 OBDepict HO N H O CH 3 H HN H O O O O O OH IC50 = 2.6 nM 458.47 C[C@@H](C[C@@H](COC(=O)CCC(=O)O)NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Homo sapiens CHEMBL719129 single protein format
CHEMBL572780 OBDepict OH HN O CH 3 S O O O H 3 C IC50 = 2.7 nM 411.48 COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3C(C)C(=O)NO)cc2)cc1 Homo sapiens CHEMBL1042351 single protein format
CHEMBL3675601 OBDepict O NH H HN O H O HO O NH 2 S O HO Ki = 2.9 nM 579.68 NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1 Homo sapiens CHEMBL3707909 single protein format
CHEMBL1935294 OBDepict CH 3 O N N O S N H O O H O HO H 3 C H 3 C IC50 = 2.9 nM 443.48 CCc1nc(-c2ccc3oc4cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)ccc4c3c2)no1 Homo sapiens CHEMBL1937507 single protein format
CHEMBL3675566 OBDepict H NH N H O O H O HO O H 2 N O OH Ki = 3.3 nM 545.59 NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 Homo sapiens CHEMBL3707909 single protein format
CHEMBL2409700 OBDepict F O F F O N S O O H 3 C N H O N H O IC50 = 3.3 nM 451.42 C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)NC(=O)NC1=O Homo sapiens CHEMBL2410678 single protein format
CHEMBL3670701 OBDepict CH 3 N H H NH O O H O NH 2 O O HO N Ki = 3.4 nM 506.56 CC[C@H](NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1)C(=O)N[C@@H](CCC(=O)O)C(N)=O Homo sapiens CHEMBL3707909 single protein format
CHEMBL3675570 OBDepict OH N H H O H 2 N O NH H O O HO Ki = 3.5 nM 517.58 NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 Homo sapiens CHEMBL3707909 single protein format
CHEMBL116944 OBDepict OH N H H CH 3 H O N H O HO O IC50 = 3.5 nM 358.39 C[C@@H](C[C@@H](CO)NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Homo sapiens CHEMBL719129 single protein format
CHEMBL3675607 OBDepict H N H O NH 2 O O OH S Ki = 3.65 nM 436.53 NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1 Homo sapiens CHEMBL3707909 single protein format
CHEMBL3675606 OBDepict H N H N H O O H O HO O H 2 N O OH S Ki = 3.7 nM 565.65 NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1 Homo sapiens CHEMBL3707909 single protein format
CHEMBL4210206 OBDepict OH HN O S O CH 3 IC50 = 4.0 nM 365.45 COc1ccc(-c2ccc(Sc3ccccc3CC(=O)NO)cc2)cc1 Homo sapiens CHEMBL4189735 single protein format
CHEMBL77995 OBDepict H 3 C O P O OH NH O H CH 3 CH 3 CH 3 N H O CH 3 IC50 = 4.0 nM 578.69 CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C Homo sapiens CHEMBL719132 single protein format
CHEMBL1935303 OBDepict CH 3 H 3 C NH H O HO S O O O N N O IC50 = 4.0 nM 491.53 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3noc(-c4ccccc4)n3)cc12)C(=O)O Homo sapiens CHEMBL1937507 single protein format
CHEMBL3675603 OBDepict O N H H NH O O OH S O OH Ki = 4.3 nM 570.67 O=C(O)CC[C@H](NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(=O)Nc1cccc(CC(=O)O)c1 Homo sapiens CHEMBL3707909 single protein format
CHEMBL311932 OBDepict OH HN O N S O O O H 3 C CH 3 CH 3 Ki = 4.3 nM 316.38 COc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1 Homo sapiens CHEMBL1635956 single protein format
CHEMBL1935295 OBDepict CH 3 H 3 C O N N O S NH O O H O HO CH 3 H 3 C IC50 = 4.5 nM 457.51 CC(C)c1nc(-c2ccc3oc4cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)ccc4c3c2)no1 Homo sapiens CHEMBL1937507 single protein format
CHEMBL3675572 OBDepict O NH H N O O OH O HO Ki = 4.7 nM 556.66 O=C(O)CC[C@H](NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)N1CCCC(CC(=O)O)C1 Homo sapiens CHEMBL3707909 single protein format
CHEMBL494529 OBDepict CH 3 H 3 C O N H O O S NH O O H O HO CH 3 H 3 C IC50 = 4.7 nM 462.52 CC(C)COC(=O)Nc1ccc2oc3cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)ccc3c2c1 Homo sapiens CHEMBL960887 assay format
CHEMBL584365 OBDepict OH NH O S O O O H 3 C IC50 = 4.8 nM 397.45 COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3CC(=O)NO)cc2)cc1 Homo sapiens CHEMBL1042351 single protein format
CHEMBL2385489 OBDepict OH N H O H N S O O O O Ki = 5.0 nM 342.37 O=C(NO)[C@@H]1CCCN1S(=O)(=O)CCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL2388547 single protein format
CHEMBL2385485 OBDepict OH N H O H N S O O O Ki = 5.0 nM 390.46 O=C(NO)[C@H]1CCCN1S(=O)(=O)CCc1ccc(Oc2ccccc2)cc1 Homo sapiens CHEMBL2388547 single protein format
CHEMBL4102193 OBDepict O HN NH O N H O F F F IC50 = 5.0 nM 369.34 O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@]1(C2CC2)NC(=O)NC1=O Homo sapiens CHEMBL4013269 single protein format
CHEMBL523035 OBDepict H 3 C O N H O O S NH O O H O HO CH 3 H 3 C IC50 = 5.0 nM 434.47 CCOC(=O)Nc1ccc2oc3cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)ccc3c2c1 Homo sapiens CHEMBL960887 assay format
CHEMBL492952 OBDepict O N H HN O S NH O O H O HO CH 3 H 3 C IC50 = 5.0 nM 473.55 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)NC3CCCC3)cc12)C(=O)O Homo sapiens CHEMBL960887 assay format
CHEMBL3675564 OBDepict H HN N H O O H O OH O H 2 N O H 2 N Ki = 5.2 nM 558.64 NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(N)=O Homo sapiens CHEMBL3707909 single protein format
CHEMBL3675597 OBDepict H N H N H O O H O HO O H 2 N O NH 2 S Ki = 5.4 nM 564.66 NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(N)=O Homo sapiens CHEMBL3707909 single protein format
CHEMBL3670706 OBDepict H NH N H O O H O OH O NH 2 O O NH 2 N Ki = 5.4 nM 549.58 NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1)C(N)=O Homo sapiens CHEMBL3707909 single protein format
CHEMBL1935297 OBDepict CH 3 CH 3 O N N O S NH O O H O HO CH 3 H 3 C IC50 = 5.4 nM 471.54 CC(C)Cc1nc(-c2ccc3oc4cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)ccc4c3c2)no1 Homo sapiens CHEMBL1937507 single protein format
CHEMBL494528 OBDepict CH 3 O N H O O S NH O O H O HO CH 3 H 3 C IC50 = 5.6 nM 448.5 CCCOC(=O)Nc1ccc2oc3cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)ccc3c2c1 Homo sapiens CHEMBL960887 assay format
CHEMBL2409710 OBDepict F F F O N S O O CH 3 HN O NH O IC50 = 5.9 nM 435.42 C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)NC(=O)NC1=O Homo sapiens CHEMBL2410678 single protein format
CHEMBL2385490 OBDepict OH N H O HN S O O S Cl Ki = 6.0 nM 298.77 O=C(CNS(=O)(=O)CCc1ccc(Cl)s1)NO Homo sapiens CHEMBL2388547 single protein format
CHEMBL1632639 OBDepict OH HN H N H O S OH O O O H 3 C Ki = 6.0 nM 290.3 COc1ccc(S(=O)(=O)N[C@H](CO)C(=O)NO)cc1 Homo sapiens CHEMBL1635956 single protein format
CHEMBL574370 OBDepict OH N H O S O O IC50 = 6.0 nM 367.43 O=C(Cc1ccccc1S(=O)(=O)c1ccc(-c2ccccc2)cc1)NO Homo sapiens CHEMBL1042351 single protein format
CHEMBL574605 OBDepict OH HN O CH 3 S O O IC50 = 6.0 nM 381.45 CC(C(=O)NO)c1ccccc1S(=O)(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL1042351 single protein format
CHEMBL563407 OBDepict CH O N H O S S NH O O H O HO H 3 C H 3 C IC50 = 6.1 nM 474.56 C#CCCOC(=O)Nc1ccc2c(c1)sc1cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)ccc12 Homo sapiens CHEMBL1062301 single protein format
CHEMBL561715 OBDepict CH 3 O N H O S S NH O O H O HO H 3 C H 3 C IC50 = 6.3 nM 450.54 CCOC(=O)Nc1ccc2c(c1)sc1cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)ccc12 Homo sapiens CHEMBL1062301 single protein format
CHEMBL3675567 OBDepict O NH H N H O H O HO O NH 2 OH Ki = 6.6 nM 593.68 NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 Homo sapiens CHEMBL3707909 single protein format
CHEMBL493750 OBDepict O O N H Cl O S NH O O H O HO CH 3 H 3 C IC50 = 6.6 nM 516.96 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)Oc3ccccc3Cl)cc12)C(=O)O Homo sapiens CHEMBL960887 assay format
CHEMBL1632638 OBDepict OH N H S N H O O O O H 3 C OH HO H OH Ki = 7.0 nM 364.38 COc1ccc(S(=O)(=O)N(C[C@H](O)CO)[C@H](CO)C(=O)NO)cc1 Homo sapiens CHEMBL1635956 single protein format
CHEMBL2385486 OBDepict OH O HN S O O Ki = 7.0 nM 319.38 O=C(O)CNS(=O)(=O)CCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL2388547 single protein format
CHEMBL1644429 OBDepict O N H S F H H O OH O CH 3 IC50 = 7.0 nM 479.57 CC(=O)c1ccc(-c2ccc(-c3cc(C(=O)NC[C@H]4CC[C@H](C(=O)O)CC4)sc3F)cc2)cc1 Homo sapiens CHEMBL1647476 single protein format
CHEMBL4094455 OBDepict H H 3 C NH O HN O N H O F F F IC50 = 7.0 nM 383.37 C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O Homo sapiens CHEMBL4013269 single protein format
CHEMBL474456 OBDepict CH 3 O N H O O S NH O O H O HO CH 3 H 3 C IC50 = 7.2 nM 420.44 COC(=O)Nc1ccc2c(c1)oc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc12 Homo sapiens CHEMBL960887 assay format
CHEMBL1935302 OBDepict CH 3 H 3 C NH H O HO S O O O N N O IC50 = 7.2 nM 497.57 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3noc(C4CCCCC4)n3)cc12)C(=O)O Homo sapiens CHEMBL1937507 single protein format
CHEMBL1234724 OBDepict OH N S O O O H 3 C HN O OH Ki = 7.6 nM 304.32 COc1ccc(S(=O)(=O)N(CCO)CC(=O)NO)cc1 Homo sapiens CHEMBL1635956 single protein format
CHEMBL523001 OBDepict NH 2 N H O O S NH O O H O HO CH 3 H 3 C IC50 = 7.6 nM 405.43 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(N)=O)cc12)C(=O)O Homo sapiens CHEMBL960887 assay format
CHEMBL552175 OBDepict O N H O S S O O CH 3 S HN O O H O OH H 3 C CH 3 IC50 = 7.6 nM 528.63 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)OCCS(C)(=O)=O)ccc12)C(=O)O Homo sapiens CHEMBL1062301 single protein format
CHEMBL3675571 OBDepict H HN N H O O H O OH O H 2 N CH 3 H 3 C Ki = 7.8 nM 543.66 CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(N)=O Homo sapiens CHEMBL3707909 single protein format
CHEMBL3675591 OBDepict O NH H N H O O HO S O OH Ki = 8.0 nM 494.57 O=C(O)CC[C@H](NC(=O)CCc1ccc(-c2cccs2)cc1)C(=O)Nc1cccc(CC(=O)O)c1 Homo sapiens CHEMBL3707909 single protein format
CHEMBL3670703 OBDepict H 3 C N H H N H O O H O NH 2 O HO O N Ki = 8.0 nM 492.53 CC[C@H](NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1)C(=O)N[C@@H](CC(=O)O)C(N)=O Homo sapiens CHEMBL3707909 single protein format
CHEMBL1632637 OBDepict OH OH H N S O O O H 3 C HN O OH Ki = 8.0 nM 334.35 COc1ccc(S(=O)(=O)N(CC(=O)NO)C[C@H](O)CO)cc1 Homo sapiens CHEMBL1635956 single protein format