Compile Data Set for Download or QSAR

Found 654 hits of ki data for polymerid = 1250   

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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062331 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-[2-(4-hydroxy-phenyl)...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc(O)cc1 Show InChI InChI=1S/C27H34N4O5/c1-17(2)13-19(15-25(33)31-36)26(34)30-24(14-20-16-29-23-6-4-3-5-22(20)23)27(35)28-12-11-18-7-9-21(32)10-8-18/h3-10,16-17,19,24,29,32,36H,11-15H2,1-2H3,(H,28,35)(H,30,34)(H,31,33)/t19-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM11354 (Hydroxamate 35 | N-Pentafluorophenylsulfonyl-N-4-n...) Show SMILES ONC(=O)CN(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-1-3-8(4-2-7)23(26)27/h1-4,25H,5-6H2,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi					Assay Description Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...				J Med Chem 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50088118 (2-(N-(4-nitrobenzyl)-2,3,4,5,6-pentafluorophenylsu...) Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-1-3-8(4-2-7)23(26)27/h1-4,25H,5-6H2,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against the Matrix Metalloprotease-8				J Med Chem 43: 1858-65 (2000) BindingDB Entry DOI: 10.7270/Q2ZW1K4G
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062353 ((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(p...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1 Show InChI InChI=1S/C25H31N5O4/c1-16(2)10-18(12-23(31)30-34)24(32)29-22(25(33)28-14-17-6-5-9-26-13-17)11-19-15-27-21-8-4-3-7-20(19)21/h3-9,13,15-16,18,22,27,34H,10-12,14H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)/t18-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					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
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062304 ((R)-2-Hexyl-N*4*-hydroxy-N*1*-[(S)-2-(1H-indol-3-y...) Show SMILES CCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C22H32N4O4/c1-3-4-5-6-9-15(13-20(27)26-30)21(28)25-19(22(29)23-2)12-16-14-24-18-11-8-7-10-17(16)18/h7-8,10-11,14-15,19,24,30H,3-6,9,12-13H2,1-2H3,(H,23,29)(H,25,28)(H,26,27)/t15-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062303 ((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(p...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccncc1 Show InChI InChI=1S/C25H31N5O4/c1-16(2)11-18(13-23(31)30-34)24(32)29-22(25(33)28-14-17-7-9-26-10-8-17)12-19-15-27-21-6-4-3-5-20(19)21/h3-10,15-16,18,22,27,34H,11-14H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)/t18-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062345 ((R)-2-Butyl-N*4*-hydroxy-N*1*-[(S)-2-(1H-indol-3-y...) Show SMILES CCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C20H28N4O4/c1-3-4-7-13(11-18(25)24-28)19(26)23-17(20(27)21-2)10-14-12-22-16-9-6-5-8-15(14)16/h5-6,8-9,12-13,17,22,28H,3-4,7,10-11H2,1-2H3,(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	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM11360 (Hydroxamate 41 | N-hydroxy-2-{[(4-nitrophenyl)meth...) Show SMILES CC(N(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-2-4-9(5-3-8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi					Assay Description Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...				J Med Chem 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062311 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-1-(3-morphol...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C28H40N4O5/c1-20(2)17-23(19-26(33)31-36)27(34)30-25(18-22-9-5-8-21-7-3-4-10-24(21)22)28(35)29-11-6-12-32-13-15-37-16-14-32/h3-5,7-10,20,23,25,36H,6,11-19H2,1-2H3,(H,29,35)(H,30,34)(H,31,33)/t23-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062297 ((R)-N*4*-Hydroxy-N*1*-{(R)-1-[2-(4-hydroxy-phenyl)...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccncc1)C(=O)NCCc1ccc(O)cc1 Show InChI InChI=1S/C24H32N4O5/c1-16(2)13-19(15-22(30)28-33)23(31)27-21(14-18-7-10-25-11-8-18)24(32)26-12-9-17-3-5-20(29)6-4-17/h3-8,10-11,16,19,21,29,33H,9,12-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t19-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062313 ((R)-N*1*-[(S)-1-Cyclopropylcarbamoyl-2-(1H-indol-3...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC1 Show InChI InChI=1S/C22H30N4O4/c1-13(2)9-14(11-20(27)26-30)21(28)25-19(22(29)24-16-7-8-16)10-15-12-23-18-6-4-3-5-17(15)18/h3-6,12-14,16,19,23,30H,7-11H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)/t14-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062293 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-(2-hydroxy-ethylcarba...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO Show InChI InChI=1S/C21H30N4O5/c1-13(2)9-14(11-19(27)25-30)20(28)24-18(21(29)22-7-8-26)10-15-12-23-17-6-4-3-5-16(15)17/h3-6,12-14,18,23,26,30H,7-11H2,1-2H3,(H,22,29)(H,24,28)(H,25,27)/t14-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062306 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(3-...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C26H39N5O5/c1-18(2)14-19(16-24(32)30-35)25(33)29-23(15-20-17-28-22-7-4-3-6-21(20)22)26(34)27-8-5-9-31-10-12-36-13-11-31/h3-4,6-7,17-19,23,28,35H,5,8-16H2,1-2H3,(H,27,34)(H,29,33)(H,30,32)/t19-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50086884 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Matrix metalloproteinase-8				Bioorg Med Chem Lett 5: 1415-1420 (1995) Article DOI: 10.1016/0960-894X(95)00233-J BindingDB Entry DOI: 10.7270/Q2Z89CBH
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM11866 (N-Hydroxy-1-(3-methoxybenzyl)-4-{[(4-phenoxyphenyl...) Show SMILES COc1cccc(CN2CCC(CS(=O)(=O)c3ccc(Oc4ccccc4)cc3)(CC2)C(=O)NO)c1 Show InChI InChI=1S/C27H30N2O6S/c1-34-24-9-5-6-21(18-24)19-29-16-14-27(15-17-29,26(30)28-31)20-36(32,33)25-12-10-23(11-13-25)35-22-7-3-2-4-8-22/h2-13,18,31H,14-17,19-20H2,1H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062338 ((2R,3S)-2,N*1*-Dihydroxy-N*4*-[(S)-2-(1H-indol-3-y...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO Show InChI InChI=1S/C20H28N4O5/c1-11(2)8-14(17(25)20(28)24-29)18(26)23-16(19(27)21-3)9-12-10-22-15-7-5-4-6-13(12)15/h4-7,10-11,14,16-17,22,25,29H,8-9H2,1-3H3,(H,21,27)(H,23,26)(H,24,28)/t14-,16+,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062294 ((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(p...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C25H31N5O4/c1-16(2)11-17(13-23(31)30-34)24(32)29-22(25(33)28-15-19-7-5-6-10-26-19)12-18-14-27-21-9-4-3-8-20(18)21/h3-10,14,16-17,22,27,34H,11-13,15H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)/t17-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50104967 (CHEMBL419751 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)Cc1ccc(O)cc1 Show InChI InChI=1S/C22H27N3O6/c1-23-22(29)19(12-15-5-9-18(31-2)10-6-15)24-21(28)16(13-20(27)25-30)11-14-3-7-17(26)8-4-14/h3-10,16,19,26,30H,11-13H2,1-2H3,(H,23,29)(H,24,28)(H,25,27)/t16-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-8				J Med Chem 44: 3347-50 (2001) BindingDB Entry DOI: 10.7270/Q2057F7H
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062350 ((R)-N*1*-((R)-2-Benzo[b]thiophen-3-yl-1-methylcarb...) Show SMILES CNC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C20H27N3O4S/c1-12(2)8-13(10-18(24)23-27)19(25)22-16(20(26)21-3)9-14-11-28-17-7-5-4-6-15(14)17/h4-7,11-13,16,27H,8-10H2,1-3H3,(H,21,26)(H,22,25)(H,23,24)/t13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062310 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccn1 Show InChI InChI=1S/C26H33N5O4/c1-17(2)13-18(15-24(32)31-35)25(33)30-23(14-19-16-29-22-9-4-3-8-21(19)22)26(34)28-12-10-20-7-5-6-11-27-20/h3-9,11,16-18,23,29,35H,10,12-15H2,1-2H3,(H,28,34)(H,30,33)(H,31,32)/t18-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062332 ((R)-N*1*-[(S)-1-[(Furan-2-ylmethyl)-carbamoyl]-2-(...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1 Show InChI InChI=1S/C24H30N4O5/c1-15(2)10-16(12-22(29)28-32)23(30)27-21(24(31)26-14-18-6-5-9-33-18)11-17-13-25-20-8-4-3-7-19(17)20/h3-9,13,15-16,21,25,32H,10-12,14H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t16-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50284753 ((R)-N*1*-[(S)-1-Hexylcarbamoyl-2-(1H-indol-3-yl)-e...) Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C25H38N4O4/c1-4-5-6-9-12-26-25(32)22(14-19-16-27-21-11-8-7-10-20(19)21)28-24(31)18(13-17(2)3)15-23(30)29-33/h7-8,10-11,16-18,22,27,33H,4-6,9,12-15H2,1-3H3,(H,26,32)(H,28,31)(H,29,30)/t18-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Matrix metalloproteinase-8				Bioorg Med Chem Lett 5: 1415-1420 (1995) Article DOI: 10.1016/0960-894X(95)00233-J BindingDB Entry DOI: 10.7270/Q2Z89CBH
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50102594 (7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...) Show SMILES CNC(=O)CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C23H34N4O6/c1-14(2)11-18-17(22(30)27-32)5-4-10-33-16-8-6-15(7-9-16)12-19(26-21(18)29)23(31)25-13-20(28)24-3/h6-9,14,17-19,32H,4-5,10-13H2,1-3H3,(H,24,28)(H,25,31)(H,26,29)(H,27,30)/t17-,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-8				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50078937 ((1-Benzyloxycarbonylamino-ethyl)-{3-benzylsulfanyl...) Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CSCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C32H37N4O6PS/c1-22(35-32(39)42-18-23-10-4-2-5-11-23)43(40,41)19-26(21-44-20-24-12-6-3-7-13-24)31(38)36-29(30(33)37)16-25-17-34-28-15-9-8-14-27(25)28/h2-15,17,22,26,29,34H,16,18-21H2,1H3,(H2,33,37)(H,35,39)(H,36,38)(H,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-8				J Med Chem 42: 2610-20 (1999) Article DOI: 10.1021/jm9900164 BindingDB Entry DOI: 10.7270/Q22B8X71
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50088107 (CHEMBL293357 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N...) Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C22H20FN5O9S2/c23-16-3-9-19(10-4-16)38(34,35)26-22(30)24-17-5-11-20(12-6-17)39(36,37)27(14-21(29)25-31)13-15-1-7-18(8-2-15)28(32)33/h1-12,31H,13-14H2,(H,25,29)(H2,24,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against the Matrix Metalloprotease-8				J Med Chem 43: 1858-65 (2000) BindingDB Entry DOI: 10.7270/Q2ZW1K4G
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062324 ((2R,3S)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-((R)-3-me...) Show SMILES CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO Show InChI InChI=1S/C15H29N3O5/c1-8(2)6-10(12(19)15(22)18-23)13(20)17-11(7-9(3)4)14(21)16-5/h8-12,19,23H,6-7H2,1-5H3,(H,16,21)(H,17,20)(H,18,22)/t10-,11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062330 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((R)-1-methylcarb...) Show SMILES CNC(=O)[C@@H](Cc1cccc2cccnc12)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C21H28N4O4/c1-13(2)10-16(12-18(26)25-29)20(27)24-17(21(28)22-3)11-15-7-4-6-14-8-5-9-23-19(14)15/h4-9,13,16-17,29H,10-12H2,1-3H3,(H,22,28)(H,24,27)(H,25,26)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062302 ((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(t...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nccs1 Show InChI InChI=1S/C23H29N5O4S/c1-14(2)9-15(11-20(29)28-32)22(30)27-19(23(31)26-13-21-24-7-8-33-21)10-16-12-25-18-6-4-3-5-17(16)18/h3-8,12,14-15,19,25,32H,9-11,13H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t15-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062308 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-(3-imidazol-1-yl-prop...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCn1ccnc1 Show InChI InChI=1S/C25H34N6O4/c1-17(2)12-18(14-23(32)30-35)24(33)29-22(13-19-15-28-21-7-4-3-6-20(19)21)25(34)27-8-5-10-31-11-9-26-16-31/h3-4,6-7,9,11,15-18,22,28,35H,5,8,10,12-14H2,1-2H3,(H,27,34)(H,29,33)(H,30,32)/t18-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM11348 (2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...) Show SMILES CC(C)CC(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C19H19F5N2O4S/c1-10(2)8-12(19(27)25-28)26(9-11-6-4-3-5-7-11)31(29,30)18-16(23)14(21)13(20)15(22)17(18)24/h3-7,10,12,28H,8-9H2,1-2H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi					Assay Description Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...				J Med Chem 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM11868 (CHEMBL256157 | N-Hydroxy-4-{[(4-phenoxyphenyl)sulf...) Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CC#C)CC1 Show InChI InChI=1S/C22H24N2O5S/c1-2-14-24-15-12-22(13-16-24,21(25)23-26)17-30(27,28)20-10-8-19(9-11-20)29-18-6-4-3-5-7-18/h1,3-11,26H,12-17H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM12072 ((R)-[1-(4-Methoxybiphenyl-4-sulfonylamino)-2-methy...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O |r| Show InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	7.5	25
Istituto di Cristallografia					Assay Description Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...				J Med Chem 49: 923-31 (2006) Article DOI: 10.1021/jm050787+ BindingDB Entry DOI: 10.7270/Q2348HM7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neutrophil collagenase (Homo sapiens (Human))	BDBM50505151 (CHEMBL4520279) Show SMILES [3H]CC([3H])C(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CO)NC(=O)[C@H](CC)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)C1(N=N1)C(F)(F)F)CP(O)(=O)c1ccccc1 |r,c:51| Show InChI InChI=1S/C41H55F3N7O11P/c1-3-33(39(56)48-35(26-52)38(55)46-17-9-19-60-21-23-61-22-20-59-18-8-16-45-36(53)4-2)47-37(54)29(27-63(57,58)32-10-6-5-7-11-32)24-31-25-34(49-62-31)28-12-14-30(15-13-28)40(50-51-40)41(42,43)44/h5-7,10-15,25,29,33,35,52H,3-4,8-9,16-24,26-27H2,1-2H3,(H,45,53)(H,46,55)(H,47,54)(H,48,56)(H,57,58)/t29-,33+,35+/m1/s1/i2T,4T/t4?,29-,33+,35+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroc?aw University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human MMP8 by photoaffinity probe based assay				Bioorg Med Chem Lett 29: 1031-1042 (2019) Article DOI: 10.1016/j.bmcl.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DR2ZSK
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062343 ((R)-N*1*-((R)-1-Benzylcarbamoyl-2-pyridin-3-yl-eth...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cccnc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C23H30N4O4/c1-16(2)11-19(13-21(28)27-31)22(29)26-20(12-18-9-6-10-24-14-18)23(30)25-15-17-7-4-3-5-8-17/h3-10,14,16,19-20,31H,11-13,15H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)/t19-,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	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062342 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((R)-1-methylcarb...) Show SMILES CNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C22H29N3O4/c1-14(2)11-17(13-20(26)25-29)21(27)24-19(22(28)23-3)12-16-9-6-8-15-7-4-5-10-18(15)16/h4-10,14,17,19,29H,11-13H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)/t17-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062327 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((R)-3-methyl-1-m...) Show SMILES CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C15H29N3O4/c1-9(2)6-11(8-13(19)18-22)14(20)17-12(7-10(3)4)15(21)16-5/h9-12,22H,6-8H2,1-5H3,(H,16,21)(H,17,20)(H,18,19)/t11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062340 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-1-methylcarb...) Show SMILES CNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C21H30N4O4/c1-13(2)9-14(11-19(26)24-29)20(27)23-17(21(28)22-3)10-15-12-25(4)18-8-6-5-7-16(15)18/h5-8,12-14,17,29H,9-11H2,1-4H3,(H,22,28)(H,23,27)(H,24,26)/t14-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50088065 (CHEMBL54054 | N-Hydroxy-2-[(4-nitro-benzyl)-(3-tri...) Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C16H14F3N3O6S/c17-16(18,19)12-2-1-3-14(8-12)29(27,28)21(10-15(23)20-24)9-11-4-6-13(7-5-11)22(25)26/h1-8,24H,9-10H2,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against the Matrix Metalloprotease-8				J Med Chem 43: 1858-65 (2000) BindingDB Entry DOI: 10.7270/Q2ZW1K4G
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50078947 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...) Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1 Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-8				J Med Chem 42: 2610-20 (1999) Article DOI: 10.1021/jm9900164 BindingDB Entry DOI: 10.7270/Q22B8X71
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062356 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-1-((S)-1-phe...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccncc1)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C24H32N4O4/c1-16(2)13-20(15-22(29)28-32)23(30)27-21(14-18-9-11-25-12-10-18)24(31)26-17(3)19-7-5-4-6-8-19/h4-12,16-17,20-21,32H,13-15H2,1-3H3,(H,26,31)(H,27,30)(H,28,29)/t17-,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50088066 (CHEMBL439931 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N...) Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C22H21N5O9S2/c28-21(24-30)15-26(14-16-6-10-18(11-7-16)27(31)32)38(35,36)20-12-8-17(9-13-20)23-22(29)25-37(33,34)19-4-2-1-3-5-19/h1-13,30H,14-15H2,(H,24,28)(H2,23,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against the Matrix Metalloprotease-8				J Med Chem 43: 1858-65 (2000) BindingDB Entry DOI: 10.7270/Q2ZW1K4G
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM11869 (4-({[4-(3,4-Dimethylphenoxy)phenyl]sulfonyl}methyl...) Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2(CCN(CC#C)CC2)C(=O)NO)cc1C Show InChI InChI=1S/C24H28N2O5S/c1-4-13-26-14-11-24(12-15-26,23(27)25-28)17-32(29,30)22-9-7-20(8-10-22)31-21-6-5-18(2)19(3)16-21/h1,5-10,16,28H,11-15,17H2,2-3H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50104969 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-8				J Med Chem 44: 3347-50 (2001) BindingDB Entry DOI: 10.7270/Q2057F7H
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50268309 (CHEMBL4088060) Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2sc3CCCCCCc3c2c(=O)[nH]1 Show InChI InChI=1S/C22H22N4O4S/c27-17-11-30-15-8-7-12(9-14(15)24-17)10-23-21(29)19-25-20(28)18-13-5-3-1-2-4-6-16(13)31-22(18)26-19/h7-9H,1-6,10-11H2,(H,23,29)(H,24,27)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States. Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP-8 catalytic domain (99 to 269 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as s...				ACS Med Chem Lett 8: 654-659 (2017) Article DOI: 10.1021/acsmedchemlett.7b00130 BindingDB Entry DOI: 10.7270/Q2MS3W8M
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062341 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-((S...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C27H34N4O4/c1-17(2)13-20(15-25(32)31-35)26(33)30-24(14-21-16-28-23-12-8-7-11-22(21)23)27(34)29-18(3)19-9-5-4-6-10-19/h4-12,16-18,20,24,28,35H,13-15H2,1-3H3,(H,29,34)(H,30,33)(H,31,32)/t18-,20+,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062298 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((R)-1-methylcarb...) Show SMILES CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM11877 (N-Hydroxy-4-{[4-(phenoxyphenyl]sulfonyl}-1- (2-pro...) Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H22N2O5S/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062347 (CHEMBL74182 | {2-[(S)-2-((R)-2-Hydroxycarbamoylmet...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNC(=O)OCc1ccccc1 Show InChI InChI=1S/C29H37N5O6/c1-19(2)14-21(16-26(35)34-39)27(36)33-25(15-22-17-32-24-11-7-6-10-23(22)24)28(37)30-12-13-31-29(38)40-18-20-8-4-3-5-9-20/h3-11,17,19,21,25,32,39H,12-16,18H2,1-2H3,(H,30,37)(H,31,38)(H,33,36)(H,34,35)/t21-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 654 total )  |  Next  |  Last  >>

Jump to: