Compile Data Set for Download or QSAR

Found 5626 hits with Last Name = 'bane' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50082556 ((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...) Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1 Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars		0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50592891 (CHEMBL5191016) Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298756 ((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)N(C)C(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C32H55BN6O10/c1-20(2)15-24(29(43)38-27(33(47)48)16-21(3)4)36-28(42)23(13-9-10-14-34)35-30(44)25(17-40)37-31(45)26(18-41)39(5)32(46)49-19-22-11-7-6-8-12-22/h6-8,11-12,20-21,23-27,40-41,47-48H,9-10,13-19,34H2,1-5H3,(H,35,44)(H,36,42)(H,37,45)(H,38,43)/t23-,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11870 (4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy ...) Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C18H18ClNO6S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)20-22)9-11-25-12-10-18/h1-8,22H,9-12H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50082556 ((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...) Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1 Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars		0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11870 (4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy ...) Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C18H18ClNO6S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)20-22)9-11-25-12-10-18/h1-8,22H,9-12H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars		0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM11870 (4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy ...) Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C18H18ClNO6S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)20-22)9-11-25-12-10-18/h1-8,22H,9-12H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM13126 ((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C19H24N2O5S/c1-14(2)18(19(22)20-23)21(13-15-7-5-4-6-8-15)27(24,25)17-11-9-16(26-3)10-12-17/h4-12,14,18,23H,13H2,1-3H3,(H,20,22)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298754 ((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C32H55BN6O10/c1-20(2)15-23(28(42)38-27(33(47)48)16-21(3)4)35-30(44)26(13-9-10-14-34)39(5)31(45)25(18-41)36-29(43)24(17-40)37-32(46)49-19-22-11-7-6-8-12-22/h6-8,11-12,20-21,23-27,40-41,47-48H,9-10,13-19,34H2,1-5H3,(H,35,44)(H,36,43)(H,37,46)(H,38,42)/t23-,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50592900 (CHEMBL5175770) Show SMILES CN1C(=O)N(C[C@@H]([C@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50592895 (CHEMBL5187653) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(C)C)[C@H](CC=C)C(=O)NO |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM190196 (EPZ008277 | US9175331, 25) Show SMILES CC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCN(C)CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C31H38N6O2/c1-19(2)37-18-21(4)29-25(30(38)33-17-26-20(3)13-22(5)34-31(26)39)14-24(15-27(29)37)23-7-8-28(32-16-23)36-11-9-35(6)10-12-36/h7-8,13-16,18-19H,9-12,17H2,1-6H3,(H,33,38)(H,34,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114419 BindingDB Entry DOI: 10.7270/Q2PR80Z0
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM190196 (EPZ008277 | US9175331, 25) Show SMILES CC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCN(C)CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C31H38N6O2/c1-19(2)37-18-21(4)29-25(30(38)33-17-26-20(3)13-22(5)34-31(26)39)14-24(15-27(29)37)23-7-8-28(32-16-23)36-11-9-35(6)10-12-36/h7-8,13-16,18-19H,9-12,17H2,1-6H3,(H,33,38)(H,34,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114419 BindingDB Entry DOI: 10.7270/Q2PR80Z0
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50592895 (CHEMBL5187653) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(C)C)[C@H](CC=C)C(=O)NO |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50592900 (CHEMBL5175770) Show SMILES CN1C(=O)N(C[C@@H]([C@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298760 (CHEMBL574766 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C32H52N6O9/c1-4-5-13-24(28(42)34-23(17-39)16-21(2)3)35-29(43)25(14-9-10-15-33)36-30(44)26(18-40)37-31(45)27(19-41)38-32(46)47-20-22-11-7-6-8-12-22/h6-8,11-12,17,21,23-27,40-41H,4-5,9-10,13-16,18-20,33H2,1-3H3,(H,34,42)(H,35,43)(H,36,44)(H,37,45)(H,38,46)/t23-,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11548 (CHEMBL100570 | N-hydroxy-2-[(4-methoxy-1,1-bipheny...) Show SMILES COc1ccc(cc1)-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1 Show InChI InChI=1S/C18H20N2O5S/c1-25-16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-20-17(18(21)19-22)10-11-26(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298738 (CHEMBL583783 | benzyl(2S,5S,8S,11S,14S)-8-(3-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C31H48N6O10/c1-18(2)12-21(14-38)33-28(43)23(13-19(3)4)35-27(42)22(10-11-26(32)41)34-29(44)24(15-39)36-30(45)25(16-40)37-31(46)47-17-20-8-6-5-7-9-20/h5-9,14,18-19,21-25,39-40H,10-13,15-17H2,1-4H3,(H2,32,41)(H,33,43)(H,34,44)(H,35,42)(H,36,45)(H,37,46)/t21-,22-,23-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50077789 ((2S,3R,6S)-4-Oxo-3-(3-phenyl-propyl)-1-oxa-5,10-di...) Show SMILES CNC(=O)[C@@H]1CCCNCCCCO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO Show InChI InChI=1S/C23H36N4O5/c1-24-22(29)19-13-8-15-25-14-5-6-16-32-20(23(30)27-31)18(21(28)26-19)12-7-11-17-9-3-2-4-10-17/h2-4,9-10,18-20,25,31H,5-8,11-16H2,1H3,(H,24,29)(H,26,28)(H,27,30)/t18-,19+,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50592895 (CHEMBL5187653) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(C)C)[C@H](CC=C)C(=O)NO |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50592900 (CHEMBL5175770) Show SMILES CN1C(=O)N(C[C@@H]([C@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298761 (CHEMBL574788 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C31H50N6O9/c1-4-10-23(27(41)33-22(16-38)15-20(2)3)34-28(42)24(13-8-9-14-32)35-29(43)25(17-39)36-30(44)26(18-40)37-31(45)46-19-21-11-6-5-7-12-21/h5-7,11-12,16,20,22-26,39-40H,4,8-10,13-15,17-19,32H2,1-3H3,(H,33,41)(H,34,42)(H,35,43)(H,36,44)(H,37,45)/t22-,23-,24-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50592895 (CHEMBL5187653) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(C)C)[C@H](CC=C)C(=O)NO |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298757 ((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CO)N(C)C(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C33H57BN6O10/c1-21(2)16-24(29(43)38-28(34(48)49)17-22(3)4)36-30(44)26(14-10-11-15-35)39(5)32(46)25(18-41)37-31(45)27(19-42)40(6)33(47)50-20-23-12-8-7-9-13-23/h7-9,12-13,21-22,24-28,41-42,48-49H,10-11,14-20,35H2,1-6H3,(H,36,44)(H,37,45)(H,38,43)/t24-,25-,26-,27-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298762 (CHEMBL574924 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C32H52N6O9/c1-20(2)14-23(16-39)34-29(43)25(15-21(3)4)36-28(42)24(12-8-9-13-33)35-30(44)26(17-40)37-31(45)27(18-41)38-32(46)47-19-22-10-6-5-7-11-22/h5-7,10-11,16,20-21,23-27,40-41H,8-9,12-15,17-19,33H2,1-4H3,(H,34,43)(H,35,44)(H,36,42)(H,37,45)(H,38,46)/t23-,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50592895 (CHEMBL5187653) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(C)C)[C@H](CC=C)C(=O)NO |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298739 (CHEMBL583784 | benzyl(2S,5S,8S,11S,14S)-14-formyl-...) Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C31H49N5O9S/c1-19(2)13-22(15-37)32-28(41)24(14-20(3)4)34-27(40)23(11-12-46-5)33-29(42)25(16-38)35-30(43)26(17-39)36-31(44)45-18-21-9-7-6-8-10-21/h6-10,15,19-20,22-26,38-39H,11-14,16-18H2,1-5H3,(H,32,41)(H,33,42)(H,34,40)(H,35,43)(H,36,44)/t22-,23-,24-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50592895 (CHEMBL5187653) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(C)C)[C@H](CC=C)C(=O)NO |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM13126 ((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C19H24N2O5S/c1-14(2)18(19(22)20-23)21(13-15-7-5-4-6-8-15)27(24,25)17-11-9-16(26-3)10-12-17/h4-12,14,18,23H,13H2,1-3H3,(H,20,22)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM120158 (US8691753, 6) Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)CCc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C28H29ClN4O8/c29-19-3-1-2-18(14-19)16-4-6-17(7-5-16)23-15-20(41-33-23)8-11-24(34)31-22(10-13-26(37)38)28(40)32-21(27(30)39)9-12-25(35)36/h1-7,14-15,21-22H,8-13H2,(H2,30,39)(H,31,34)(H,32,40)(H,35,36)(H,37,38)/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298740 (CHEMBL574324 | benzyl(2S,5S,8S,11S,14S)-14-formyl-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C30H47N5O10/c1-18(2)12-21(14-37)31-27(41)23(13-19(3)4)33-26(40)22(10-11-36)32-28(42)24(15-38)34-29(43)25(16-39)35-30(44)45-17-20-8-6-5-7-9-20/h5-9,14,18-19,21-25,36,38-39H,10-13,15-17H2,1-4H3,(H,31,41)(H,32,42)(H,33,40)(H,34,43)(H,35,44)/t21-,22-,23-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM11870 (4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy ...) Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C18H18ClNO6S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)20-22)9-11-25-12-10-18/h1-8,22H,9-12H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50592895 (CHEMBL5187653) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(C)C)[C@H](CC=C)C(=O)NO |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50592897 (CHEMBL74539) Show SMILES OC(=O)[C@H](CSc1ccccc1)CC(=O)c1ccc(cc1)-c1ccc(Cl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298714 (CHEMBL574925 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C35H50N6O9/c1-23(2)17-26(19-42)37-32(46)28(18-24-11-5-3-6-12-24)39-31(45)27(15-9-10-16-36)38-33(47)29(20-43)40-34(48)30(21-44)41-35(49)50-22-25-13-7-4-8-14-25/h3-8,11-14,19,23,26-30,43-44H,9-10,15-18,20-22,36H2,1-2H3,(H,37,46)(H,38,47)(H,39,45)(H,40,48)(H,41,49)/t26-,27-,28-,29-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298715 (CHEMBL575847 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCS(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C31H50N6O10S/c1-20(2)15-22(16-38)33-27(41)24(12-14-48(3)46)35-28(42)23(11-7-8-13-32)34-29(43)25(17-39)36-30(44)26(18-40)37-31(45)47-19-21-9-5-4-6-10-21/h4-6,9-10,16,20,22-26,39-40H,7-8,11-15,17-19,32H2,1-3H3,(H,33,41)(H,34,43)(H,35,42)(H,36,44)(H,37,45)/t22-,23-,24-,25-,26-,48?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298741 (CHEMBL574931 | benzyl(2S,5S,8S,11S,14S)-7-cyclohex...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C1CCCCC1)C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C35H55N5O9/c1-22(2)16-26(18-41)36-32(45)28(17-23(3)4)37-31(44)24(5)40(27-14-10-7-11-15-27)34(47)30(20-43)38-33(46)29(19-42)39-35(48)49-21-25-12-8-6-9-13-25/h6,8-9,12-13,18,22-24,26-30,42-43H,7,10-11,14-17,19-21H2,1-5H3,(H,36,45)(H,37,44)(H,38,46)(H,39,48)/t24-,26-,28-,29-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298716 (CHEMBL574792 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C35H50N6O10/c1-22(2)16-25(18-42)37-32(47)28(17-23-11-13-26(45)14-12-23)39-31(46)27(10-6-7-15-36)38-33(48)29(19-43)40-34(49)30(20-44)41-35(50)51-21-24-8-4-3-5-9-24/h3-5,8-9,11-14,18,22,25,27-30,43-45H,6-7,10,15-17,19-21,36H2,1-2H3,(H,37,47)(H,38,48)(H,39,46)(H,40,49)(H,41,50)/t25-,27-,28-,29-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298717 (CHEMBL574845 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C31H50N6O9S/c1-20(2)15-22(16-38)33-27(41)24(12-14-47-3)35-28(42)23(11-7-8-13-32)34-29(43)25(17-39)36-30(44)26(18-40)37-31(45)46-19-21-9-5-4-6-10-21/h4-6,9-10,16,20,22-26,39-40H,7-8,11-15,17-19,32H2,1-3H3,(H,33,41)(H,34,43)(H,35,42)(H,36,44)(H,37,45)/t22-,23-,24-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50264810 (CHEMBL445971 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CS(=O)(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C16H17NO5S3/c1-24(18,19)17-12-2-4-13(5-3-12)22-14-6-8-16(9-7-14)25(20,21)11-15-10-23-15/h2-9,15,17H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50064344 ((3S,5R,14S)-14-(methylcarbamoyl)-2,8-dioxo-3-phene...) Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C22H32N4O5/c1-23-20(28)16-9-5-6-14-24-19(27)13-12-18(22(30)31)25-17(21(29)26-16)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-18,25H,5-6,9-14H2,1H3,(H,23,28)(H,24,27)(H,26,29)(H,30,31)/t16-,17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298742 (CHEMBL583785 | benzyl(2S,5S,8S,11S,14S)-8-(2-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C30H46N6O10/c1-17(2)10-20(13-37)32-26(41)21(11-18(3)4)33-27(42)22(12-25(31)40)34-28(43)23(14-38)35-29(44)24(15-39)36-30(45)46-16-19-8-6-5-7-9-19/h5-9,13,17-18,20-24,38-39H,10-12,14-16H2,1-4H3,(H2,31,40)(H,32,41)(H,33,42)(H,34,43)(H,35,44)(H,36,45)/t20-,21-,22-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298718 (CHEMBL574926 | benzyl(2S,5S,8S,11S,14S)-11-((1H-im...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ncc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C32H48N8O9/c1-20(2)14-22(16-41)36-29(45)24(15-27-34-12-13-35-27)38-28(44)23(10-6-7-11-33)37-30(46)25(17-42)39-31(47)26(18-43)40-32(48)49-19-21-8-4-3-5-9-21/h3-5,8-9,12-13,16,20,22-26,42-43H,6-7,10-11,14-15,17-19,33H2,1-2H3,(H,34,35)(H,36,45)(H,37,46)(H,38,44)(H,39,47)(H,40,48)/t22-,23-,24-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	18.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50592892 (CHEMBL5190158) Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair

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