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P08254 | MMP3_HUMAN | Stromelysin-1 (MMP3)

3D structures mapped by conservation among orthologs

[ Domain: "PGBD-like" // PG_binding_1 ]

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

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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
CHEMBL421882 OBDepict Br S HN O O O OH CH 3 CH 3 IC50 = 0.007 nM 412.31 CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O Homo sapiens CHEMBL2339487 single protein format
CHEMBL330028 OBDepict CH 3 CH 3 HN O HO S O O IC50 = 0.038 nM 333.41 CC(C)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O Homo sapiens CHEMBL2339487 single protein format
CHEMBL1801056 OBDepict HO NH O S O O O O CH 3 N CH IC50 = 0.2 nM 444.51 C#CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC)cc3)cc2)CC1 Homo sapiens CHEMBL1806085 single protein format
CHEMBL75094 OBDepict OH N H O H N S CH 3 CH 3 S O O O N Ki = 0.27 nM 423.52 CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)[C@H]1C(=O)NO Homo sapiens CHEMBL715875 single protein format
CHEMBL400083 OBDepict H 3 C N H O H 3 C N S O O H 3 C H 3 C N H O OH IC50 = 0.3 nM 489.64 CNCCOc1cccc(-c2ccc(C3CCN(S(=O)(=O)C(C)(C)C(=O)NO)CC3)cc2C)c1 Homo sapiens CHEMBL944034 single protein format
CHEMBL56837 OBDepict OH N H O H N S H OH O O O H OH H HO Ki = 0.35 nM 424.43 O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Homo sapiens CHEMBL710746 single protein format
CHEMBL251918 OBDepict H 2 N O CH 3 N S O O CH 3 CH 3 HN O OH IC50 = 0.4 nM 475.61 Cc1cc(C2CCN(S(=O)(=O)C(C)(C)C(=O)NO)CC2)ccc1-c1cccc(OCCN)c1 Homo sapiens CHEMBL944034 single protein format
CHEMBL291264 OBDepict CH 3 O S N O O H H OH N H O H O H HO OH H 3 C Ki = 0.43 nM 414.44 CC#CCOc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@H](OC)[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL709176 single protein format
CHEMBL425316 OBDepict H 3 C O P N O NH O OH O H 2 N Ki = 0.5 nM 467.46 CCOP(=O)(c1ccc(Oc2ccc(N)cc2)cc1)N1Cc2ccccc2CC1C(=O)NO Homo sapiens CHEMBL715873 single protein format
CHEMBL154044 OBDepict OH HN O H N H O H H 3 C H 3 C CH 3 N H O CH 3 CH 3 IC50 = 0.5 nM 467.61 CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(C)c1)CC(=O)NO)C(C)(C)C Homo sapiens CHEMBL715160 single protein format
CHEMBL61193 OBDepict OH N H O H N S H OH O O O H OH H HO Ki = 0.51 nM 424.43 O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Homo sapiens CHEMBL708549 single protein format
CHEMBL355797 OBDepict H 3 C O P N O NH O OH O Ki = 0.53 nM 452.45 CCOP(=O)(c1ccc(Oc2ccccc2)cc1)N1Cc2ccccc2CC1C(=O)NO Homo sapiens CHEMBL715873 single protein format
CHEMBL279078 OBDepict H 3 C NH O N H H O H H 3 C H N H O H 3 C CH 3 OH IC50 = 0.6 nM 417.55 CNC(=O)[C@H](Cc1cccc2c1CCCC2)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO Homo sapiens CHEMBL714859 single protein format
CHEMBL342172 OBDepict OH N H O H N S CH 3 CH 3 S O O O H 3 C O IC50 = 0.7 nM 404.51 COc1ccc(S(=O)(=O)N2CCOCCSC(C)(C)[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL715159 single protein format
CHEMBL104022 OBDepict OH N H O N S O O O CH 3 S H 3 C H 3 C IC50 = 0.7 nM 466.63 COc1ccc(S(=O)(=O)N(CC(C)C)C(CCSCc2ccccc2)C(=O)NO)cc1 Homo sapiens CHEMBL709522 single protein format
CHEMBL140970 OBDepict OH N H O H N S CH 3 CH 3 S O O O H 3 C IC50 = 0.7 nM 374.48 COc1ccc(S(=O)(=O)N2CCCSC(C)(C)[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL715159 single protein format
CHEMBL141080 OBDepict OH HN O H N S CH 3 CH 3 S O O O H 3 C IC50 = 0.7 nM 360.46 COc1ccc(S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL715159 single protein format
CHEMBL4088630 OBDepict OH N H O N S CH 3 CH 3 S O O O H 3 C IC50 = 0.7 nM 360.46 COc1ccc(S(=O)(=O)N2CCSC(C)(C)C2C(=O)NO)cc1 Homo sapiens CHEMBL4037093 assay format
CHEMBL296911 OBDepict HO N H O N H S O O O CH 3 S CH 3 H 3 C IC50 = 0.7 nM 466.63 COc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCSCc2ccccc2)C(=O)NO)cc1 Homo sapiens CHEMBL710572 single protein format
CHEMBL320402 OBDepict HO N H O N H S O O O CH 3 S CH 3 H 3 C IC50 = 0.7 nM 466.63 COc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CCSCc2ccccc2)C(=O)NO)cc1 Homo sapiens CHEMBL710731 single protein format
CHEMBL288896 OBDepict OH HN O H N H O CH 3 CH 3 H HN O H 3 C CH 3 O O CH 3 IC50 = 0.8 nM 435.52 COC(=O)c1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)NO)CC(C)C)cc1 Homo sapiens CHEMBL810210 single protein format
CHEMBL93395 OBDepict HO NH O H N H O H HN O Cl O HO Ki = 0.8 nM 510.03 O=C(O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO Homo sapiens CHEMBL710325 single protein format
CHEMBL76158 OBDepict HO NH O H N H O H N H O Cl N H O O OH Ki = 0.8 nM 581.11 O=C(O)CCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO Homo sapiens CHEMBL708551 single protein format
CHEMBL102438 OBDepict OH N H O N S O O O H 3 C S HN O O H 3 C IC50 = 0.9 nM 587.72 COc1ccc(CNC(=O)CN(C(CCSCc2ccccc2)C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1 Homo sapiens CHEMBL709522 single protein format
CHEMBL72511 OBDepict HO H H N H O HN O OH H O H 3 C CH 3 H 3 C N H O H 3 C H 3 C Ki = 0.9 nM 395.46 CNC(=O)[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)[C@H](CO)C(=O)NO)C(C)(C)C Homo sapiens CHEMBL713439 single protein format
CHEMBL92828 OBDepict HO NH O H N H O H HN O Cl O O CH 3 Ki = 0.96 nM 524.06 COC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO Homo sapiens CHEMBL710325 single protein format
CHEMBL308533 OBDepict HO NH O H N H O H HN O Cl HN O O O CH 3 Ki = 0.96 nM 595.14 COC(=O)CCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO Homo sapiens CHEMBL708551 single protein format
CHEMBL252117 OBDepict OH HN O S CH 3 CH 3 N O O CH 3 O N CH 3 CH 3 IC50 = 1.0 nM 503.67 Cc1cc(C2CCN(S(=O)(=O)C(C)(C)C(=O)NO)CC2)ccc1-c1cccc(OCCN(C)C)c1 Homo sapiens CHEMBL944034 single protein format
CHEMBL337594 OBDepict CH 3 O O S N S CH 3 CH 3 O O O H 3 C H N H O OH IC50 = 1.0 nM 434.54 COCOC1CSC(C)(C)[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(OC)cc2)C1 Homo sapiens CHEMBL715159 single protein format
CHEMBL421966 OBDepict OH N H O H N S N O O O F O H 3 C IC50 < 1.0 nM 423.42 CO/N=C1/C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1 Homo sapiens CHEMBL709523 single protein format
CHEMBL149977 OBDepict CH 3 O S N O O H N NH O O HO H 3 C IC50 = 1.0 nM 385.44 CCCCOc1ccc(S(=O)(=O)N2C/C(=NOC)C[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL709523 single protein format
CHEMBL251917 OBDepict HO O N CH 3 N S O O CH 3 CH 3 HN O OH IC50 = 1.0 nM 477.58 Cc1cc(C2CCN(S(=O)(=O)C(C)(C)C(=O)NO)CC2)ccc1-c1cccc(OCCO)n1 Homo sapiens CHEMBL944034 single protein format
CHEMBL398641 OBDepict HO O CH 3 N S O O CH 3 CH 3 HN O OH IC50 = 1.0 nM 476.6 Cc1cc(C2CCN(S(=O)(=O)C(C)(C)C(=O)NO)CC2)ccc1-c1cccc(OCCO)c1 Homo sapiens CHEMBL944034 single protein format
CHEMBL346442 OBDepict OH N H O H N S N O O O F O H 3 C H 3 C CH 3 IC50 < 1.0 nM 465.5 CC(C)(C)O/N=C1/C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1 Homo sapiens CHEMBL709523 single protein format
CHEMBL317508 OBDepict OH HN O O N N N O N IC50 = 1.1 nM 455.47 N#Cc1ccc(-c2ccc(OCC(CCn3nnc4ccccc4c3=O)C(=O)NO)cc2)cc1 Homo sapiens CHEMBL710130 single protein format
CHEMBL344633 OBDepict OH N H O H N S CH 3 CH 3 S O O S N IC50 = 1.1 nM 427.57 CC1(C)SCCCN(S(=O)(=O)c2ccc(-c3ccccn3)s2)[C@H]1C(=O)NO Homo sapiens CHEMBL715159 single protein format
CHEMBL75094 OBDepict OH N H O H N S CH 3 CH 3 S O O O N IC50 = 1.1 nM 423.52 CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)[C@H]1C(=O)NO Homo sapiens CHEMBL874161 single protein format
CHEMBL321180 OBDepict HO N H O OH H H N H O H 3 C H 3 C H CH 3 CH 3 H 3 C O N H IC50 = 1.2 nM 417.51 CC(C)C[C@@H](C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C)[C@H](O)C(=O)NO Homo sapiens CHEMBL710600 single protein format
CHEMBL111798 OBDepict H 2 C H H N H O N H O HO CH 3 H 3 C H CH 3 CH 3 H 3 C O N H IC50 = 1.2 nM 441.57 C=CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C Homo sapiens CHEMBL710600 single protein format
CHEMBL125901 OBDepict OH O H H S H N N N O N IC50 = 1.2 nM 458.54 O=C(O)[C@@H]1[C@@H](Sc2ccc(-c3ccncc3)cc2)CC[C@H]1Cn1nnc2ccccc2c1=O Homo sapiens CHEMBL874161 single protein format
CHEMBL7108 OBDepict OH HN O H N S O N O O O H 3 C H 3 C H 3 C CH 3 IC50 = 1.3 nM 385.44 COc1ccc(S(=O)(=O)N2CN(C(C)(C)C)C(=O)C[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL715158 single protein format
CHEMBL93235 OBDepict OH HN O H NH O H N H O Cl N O O Ki = 1.38 nM 579.14 O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)N1CCOCC1)NO Homo sapiens CHEMBL710325 single protein format
CHEMBL256157 OBDepict OH N H O S N O O O CH IC50 < 1.5 nM 428.51 C#CCN1CCC(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)(C(=O)NO)CC1 Homo sapiens CHEMBL927858 single protein format
CHEMBL3932562 OBDepict OH HN O HN H CH 3 H 3 C S O O NH O N N H O IC50 = 1.5 nM 549.61 CC(C)[C@H](NS(=O)(=O)c1ccc(-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)cc1)C(=O)NO Homo sapiens CHEMBL3868400 single protein format
CHEMBL418291 OBDepict CH 3 H O N H H NH O H HO N H O H 3 C O IC50 = 1.5 nM 509.65 CCCc1ccc(CC[C@H]2C(=O)N[C@H](C(=O)NC)Cc3ccc(cc3)OCCCC[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL710567 single protein format
CHEMBL102785 OBDepict OH N H O N S O O O CH 3 S N H O IC50 = 1.6 nM 549.72 COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)C(CCSCc2ccccc2)C(=O)NO)cc1 Homo sapiens CHEMBL709522 single protein format
CHEMBL102798 OBDepict CH 3 O S N O O N H O N H O HO S IC50 = 1.6 nM 557.69 COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)C(CCSCc2ccccc2)C(=O)NO)cc1 Homo sapiens CHEMBL709522 single protein format
CHEMBL92767 OBDepict OH HN O H N S H OH O O O H 3 C H HO H HO Ki = 1.7 nM 362.36 COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL708549 single protein format
CHEMBL324664 OBDepict CH 2 H H HN O HN O OH CH 3 H 3 C H O N H IC50 = 1.7 nM 425.53 C=CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1ccc[nH]1 Homo sapiens CHEMBL710600 single protein format
CHEMBL327578 OBDepict OH N H O H N S H OH O O O H OH H HO Ki = 1.8 nM 430.48 O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OC2CCCCC2)cc1 Homo sapiens CHEMBL708549 single protein format
CHEMBL304243 OBDepict HO NH O H H O N H O H O HN O CH 3 IC50 = 1.8 nM 525.65 CNC(=O)[C@@H]1Cc2ccc(cc2)OCCCC[C@H](C(=O)NO)[C@@H](CCCCOCc2ccccc2)C(=O)N1 Homo sapiens CHEMBL710567 single protein format
CHEMBL430524 OBDepict H 2 C H H NH O NH O HO H 3 C CH 3 H O N O IC50 = 1.8 nM 427.5 C=CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1ncco1 Homo sapiens CHEMBL710600 single protein format
CHEMBL19843 OBDepict CH 3 N H O N H H O H CH 3 H NH O CH 3 H 3 C HO IC50 = 1.9 nM 349.43 CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO)c1ccccc1 Homo sapiens CHEMBL714859 single protein format
CHEMBL417537 OBDepict H 3 C N H O N H H O H H 3 C H O N H O H 3 C CH 3 CH 3 OH Ki = 1.93 nM 393.48 CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO Homo sapiens CHEMBL710745 single protein format
CHEMBL267533 OBDepict CH 3 H O HO H N H O H H 3 C H 3 C CH 3 N H O N F Ki = 2.0 nM 575.72 CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(F)cc2)cc1)C(=O)N[C@H](C(=O)Nc1ccncc1)C(C)(C)C)C(=O)O Homo sapiens CHEMBL710738 single protein format
CHEMBL431408 OBDepict OH NH O H N H O H CH 3 CH 3 CH 3 N H O O O OH Ki = 2.0 nM 479.57 CC(C)(C)[C@H](NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO)C(=O)NCCCC(=O)O Homo sapiens CHEMBL812385 single protein format
CHEMBL315688 OBDepict OH HN O H N H O H H 3 C H 3 C CH 3 N H O O N Cl O Ki < 2.0 nM 555.12 CC(C)(C)[C@H](NC(=O)[C@H](CCCCOc1ccc(Cl)cc1)CC(=O)NO)C(=O)NCCCN1CCOCC1 Homo sapiens CHEMBL812385 single protein format
CHEMBL57644 OBDepict OH HN O H N S H OH O O O H 3 C H HO H HO Ki = 2.0 nM 362.36 COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL710746 single protein format
CHEMBL342102 OBDepict CH 3 O S N O O H H N NH O HO O O N H 3 C IC50 = 2.0 nM 454.51 CCCCOc1ccc(S(=O)(=O)N2C[C@@H](N3C(=O)CN(C)C3=O)C[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL714854 single protein format
CHEMBL442445 OBDepict H 3 C O H 3 C N S O O H 3 C H 3 C N H O OH IC50 = 2.0 nM 460.6 CCOc1cccc(-c2ccc(C3CCN(S(=O)(=O)C(C)(C)C(=O)NO)CC3)cc2C)c1 Homo sapiens CHEMBL944034 single protein format
CHEMBL147804 OBDepict H 3 C N H O N OH H 3 C H S H O O O H 3 C N H O OH IC50 = 2.0 nM 429.5 CCCN(C(=O)[C@H](C)O)[C@H]1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(OC)cc2)C1 Homo sapiens CHEMBL709521 single protein format
CHEMBL151539 OBDepict H 3 C O S N O O H N NH O O HO H 3 C IC50 = 2.0 nM 371.42 CCCOc1ccc(S(=O)(=O)N2C/C(=NOC)C[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL709523 single protein format
CHEMBL150242 OBDepict OH N H O H N S N O O O O H 3 C IC50 = 2.0 nM 405.43 CO/N=C1/C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1 Homo sapiens CHEMBL709523 single protein format
CHEMBL150342 OBDepict CH 3 O S N O O H N HN O N OH O IC50 = 2.0 nM 440.52 CCCCOc1ccc(S(=O)(=O)N2C/C(=NN3CCOCC3)C[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL709523 single protein format
CHEMBL440355 OBDepict H 3 C O S N O O H N N H O O OH H 3 C IC50 = 2.0 nM 399.47 CCCCOc1ccc(S(=O)(=O)N2C/C(=NOCC)C[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL709523 single protein format
CHEMBL172249 OBDepict H 3 C O P N O N HN O H HO O H 3 C Ki = 2.04 nM 429.41 CCOP(=O)(c1ccc(OC)cc1)N1Cc2[nH]c3ccccc3c2CC1C(=O)NO Homo sapiens CHEMBL715873 single protein format
CHEMBL58577 OBDepict OH N H O H N S H OH O O O H OH H HO Ki = 2.1 nM 438.46 O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1 Homo sapiens CHEMBL710746 single protein format
CHEMBL503231 OBDepict H 3 C O N H H O N H H CH 3 CH 3 H 3 C O H N H O HO CH 3 IC50 = 2.1 nM 587.76 COC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(C)c1)CC(=O)NO)C(C)(C)C)c1ccccc1 Homo sapiens CHEMBL1002945 single protein format
CHEMBL326489 OBDepict HO NH O H N H O H CH 3 CH 3 H 3 C N H O O H CH 3 CH 3 IC50 = 2.1 nM 573.73 CO[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(C)c1)CC(=O)NO)C(C)(C)C)c1ccccc1 Homo sapiens CHEMBL710126 single protein format
CHEMBL106016 OBDepict CH 3 O S N O O N H O N H O HO S N IC50 = 2.2 nM 558.68 COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)C(CCSCc2ccccc2)C(=O)NO)cc1 Homo sapiens CHEMBL709522 single protein format
CHEMBL432991 OBDepict H 2 C H H NH O NH O HO H 3 C CH 3 H O N H IC50 = 2.3 nM 475.59 C=CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 Homo sapiens CHEMBL710600 single protein format
CHEMBL281371 OBDepict OH N H O H NH O H 3 C CH 3 H N H O CH 3 IC50 = 2.3 nM 341.45 CNC(=O)[C@@H](NC(=O)[C@@H](CC(=O)NO)CC(C)C)C1CCCCC1 Homo sapiens CHEMBL714859 single protein format
CHEMBL93695 OBDepict OH HN O H NH O H N H O Cl N O Ki = 2.39 nM 579.18 O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCCCN1CCOCC1)NO Homo sapiens CHEMBL710325 single protein format
CHEMBL173846 OBDepict OH HN O N P O O O CH 3 Ki = 2.43 nM 458.5 COc1ccc(P(=O)(OCC2CCCCC2)N2Cc3ccccc3CC2C(=O)NO)cc1 Homo sapiens CHEMBL715873 single protein format
CHEMBL3889936 OBDepict O N HO CH 3 CH 3 S O O NH O N N H O IC50 = 2.5 nM 548.62 CC(C)C(CS(=O)(=O)c1ccc(-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)cc1)N(O)C=O Homo sapiens CHEMBL3868400 single protein format
CHEMBL126044 OBDepict OH HN O N N S S O O O H 3 C O O S CH 3 N H 2 N IC50 = 2.5 nM 491.57 COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3sc(N)nc3C)CC2C(=O)NO)cc1 Homo sapiens CHEMBL709518 single protein format
CHEMBL93620 OBDepict OH N H O H N S H OH O O O H OH H HO Ki = 2.6 nM 438.46 O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1 Homo sapiens CHEMBL708549 single protein format
CHEMBL62007 OBDepict H 3 C N H O H N H O H H O H 3 C H 3 C HN O HO IC50 = 2.6 nM 433.55 CNC(=O)[C@@H]1Cc2ccc(cc2)OCCCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1 Homo sapiens CHEMBL710600 single protein format
CHEMBL3958969 OBDepict OH N H O N S O O O N H O N N H O IC50 = 2.6 nM 543.6 O=C(NCc1cccc(OCCCS(=O)(=O)N2CCCCC2C(=O)NO)c1)c1nc2ccccc2c(=O)[nH]1 Homo sapiens CHEMBL3868400 single protein format
CHEMBL345447 OBDepict HO NH O H N H O H CH 3 CH 3 H 3 C N H O CH 3 H IC50 = 2.6 nM 543.71 C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)cc1)CC(=O)NO)C(C)(C)C)c1ccccc1 Homo sapiens CHEMBL715160 single protein format
CHEMBL65159 OBDepict HO NH O H H O HN H 3 C H 3 C O H NH O N IC50 = 2.6 nM 482.58 CC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2ccccn2)Cc2ccc(cc2)OCCCC[C@@H]1C(=O)NO Homo sapiens CHEMBL710567 single protein format
CHEMBL94114 OBDepict OH NH O H N H O H HN O H 3 C N O Ki = 2.61 nM 558.76 Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCCCN2CCOCC2)cc1 Homo sapiens CHEMBL710325 single protein format
CHEMBL436205 OBDepict H 3 C O S N O O H HN O H 3 C H 3 C S OH O O IC50 = 2.7 nM 448.56 CCCCOc1ccc(S(=O)(=O)N2CCCS(=O)(=O)C(C)(C)[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL715159 single protein format
CHEMBL111736 OBDepict HO NH O H H O HN H 3 C CH 3 H O O IC50 = 2.7 nM 480.61 CC(C)C[C@H]1C(=O)N[C@H](C(=O)c2ccccc2)Cc2ccc(cc2)OCCCCC[C@@H]1C(=O)NO Homo sapiens CHEMBL710600 single protein format
CHEMBL88718 OBDepict CH 3 N H O H N H O N H H O CH 3 CH 3 NH O OH Ki = 2.88 nM 458.56 CNC(=O)[C@@H]1Cc2cn(c3ccccc23)CCCCO[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1 Homo sapiens CHEMBL709173 single protein format
CHEMBL170315 OBDepict OH N H O N P O O H 3 C O H 3 C Ki = 2.95 nM 376.35 COc1ccc(P(=O)(OC)N2Cc3ccccc3CC2C(=O)NO)cc1 Homo sapiens CHEMBL715873 single protein format
CHEMBL168802 OBDepict H 3 C N H O HN H O H OH CH 3 NH O O HO CH 3 Ki = 3.0 nM 471.55 CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Homo sapiens CHEMBL711200 single protein format
CHEMBL92385 OBDepict CH 3 HN O H NH O H N H O H 3 C CH 3 H 3 C N H O O OH Ki = 3.0 nM 400.48 CNC(=O)[C@@H]1CCCCN(C)C(=O)CO[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1 Homo sapiens CHEMBL709173 single protein format
CHEMBL23725 OBDepict OH N H O H H O HN N H 3 C H 3 C H O O HN O CH 3 CH 3 H 3 C CH 3 Ki = 3.0 nM 470.61 CNC(=O)[C@@H]1CCCCN(C(=O)OC(C)(C)C)CCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1 Homo sapiens CHEMBL712809 single protein format
CHEMBL1771218 OBDepict HO NH O S O O O N N N N N CH 3 O Ki = 3.0 nM 502.55 Cc1ccc(-c2nnnn2CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)nc1 Homo sapiens CHEMBL1771910 single protein format
CHEMBL313140 OBDepict HO N H O H HN O H H 3 C CH 3 H 3 C N H O O O HO Ki = 3.0 nM 465.55 CC(C)(C)[C@H](NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO)C(=O)NCCC(=O)O Homo sapiens CHEMBL812385 single protein format
CHEMBL147903 OBDepict OH N H O H N S H N O O O CH 3 H 3 C O O N H 3 C IC50 = 3.0 nM 454.51 CC(C)COc1ccc(S(=O)(=O)N2C[C@@H](N3C(=O)CN(C)C3=O)C[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL709521 single protein format
CHEMBL423015 OBDepict CH 3 O S N O O H H N NH O HO O HN O CH 3 H 3 C IC50 = 3.0 nM 468.53 CCCCOc1ccc(S(=O)(=O)N2C[C@@H](N3C(=O)NC(C)(C)C3=O)C[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL709521 single protein format
CHEMBL251916 OBDepict H 3 C O O H 3 C N S O O H 3 C H 3 C N H O OH IC50 = 3.0 nM 490.62 COCCOc1cccc(-c2ccc(C3CCN(S(=O)(=O)C(C)(C)C(=O)NO)CC3)cc2C)c1 Homo sapiens CHEMBL944034 single protein format
CHEMBL125104 OBDepict OH O H H S H N O O IC50 = 3.0 nM 471.58 O=C(O)[C@@H]1[C@@H](SCc2ccc(-c3ccccc3)cc2)CC[C@H]1CN1C(=O)c2ccccc2C1=O Homo sapiens CHEMBL874161 single protein format
CHEMBL43113 OBDepict CH 3 S NH O O H O HO CH 3 H 3 C IC50 = 3.0 nM 347.44 Cc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc2)cc1 Homo sapiens CHEMBL709520 single protein format
CHEMBL151331 OBDepict CH 3 O S N O O H N HN O N OH NH IC50 = 3.0 nM 439.54 CCCCOc1ccc(S(=O)(=O)N2C/C(=NN3CCNCC3)C[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL709523 single protein format
CHEMBL420657 OBDepict OH N H O H N S HO H H 3 C H 3 C O O O H 3 C S IC50 = 3.0 nM 480.61 COc1ccc(S(=O)(=O)N2CC(C)(C)C([C@H](O)CSc3ccccc3)[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL710731 single protein format
CHEMBL255030 OBDepict H 3 C O H 3 C N S O O N H O OH IC50 = 3.0 nM 430.53 COCc1cccc(-c2ccc(C3=CCN(S(=O)(=O)CC(=O)NO)CC3)cc2C)c1 Homo sapiens CHEMBL944034 single protein format
CHEMBL356471 OBDepict CH 3 O N N S H O O O H 3 C NH O HO IC50 = 3.0 nM 343.36 CO/N=C1/C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(OC)cc2)C1 Homo sapiens CHEMBL709523 single protein format