Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50005971   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50043224 (3-Mercapto-4-[2-(4-methoxy-phenyl)-1-methylcarbamo...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)OCc1ccccc1 Show InChI InChI=1S/C27H36N2O5S/c1-18(2)14-22(24(35)16-25(30)34-17-20-8-6-5-7-9-20)26(31)29-23(27(32)28-3)15-19-10-12-21(33-4)13-11-19/h5-13,18,22-24,35H,14-17H2,1-4H3,(H,28,32)(H,29,31)/t22-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043221 (3-Mercapto-6-methyl-4-(1-methylcarbamoyl-2-phenyl-...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)OC Show InChI InChI=1S/C20H30N2O4S/c1-13(2)10-15(17(27)12-18(23)26-4)19(24)22-16(20(25)21-3)11-14-8-6-5-7-9-14/h5-9,13,15-17,27H,10-12H2,1-4H3,(H,21,25)(H,22,24)/t15-,16+,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043231 (4-[2-(1H-Indol-3-yl)-1-methylcarbamoyl-ethylcarbam...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)OC Show InChI InChI=1S/C22H31N3O4S/c1-13(2)9-16(19(30)11-20(26)29-4)21(27)25-18(22(28)23-3)10-14-12-24-17-8-6-5-7-15(14)17/h5-8,12-13,16,18-19,24,30H,9-11H2,1-4H3,(H,23,28)(H,25,27)/t16-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat skin type I collagen degradation by purified human lung fibroblast collagenase				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043228 (3-Mercapto-4-[2-(4-methoxy-phenyl)-1-methylcarbamo...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)OC Show InChI InChI=1S/C21H32N2O5S/c1-13(2)10-16(18(29)12-19(24)28-5)20(25)23-17(21(26)22-3)11-14-6-8-15(27-4)9-7-14/h6-9,13,16-18,29H,10-12H2,1-5H3,(H,22,26)(H,23,25)/t16-,17+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043227 (3-Mercapto-4-[2-(4-methoxy-phenyl)-1-methylcarbamo...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)OC(C)(C)C Show InChI InChI=1S/C24H38N2O5S/c1-15(2)12-18(20(32)14-21(27)31-24(3,4)5)22(28)26-19(23(29)25-6)13-16-8-10-17(30-7)11-9-16/h8-11,15,18-20,32H,12-14H2,1-7H3,(H,25,29)(H,26,28)/t18-,19+,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043237 (4-[2-(1H-Indol-3-yl)-1-methylcarbamoyl-ethylcarbam...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(C)C)[C@H](S)CC(=O)OC Show InChI InChI=1S/C22H31N3O4S/c1-13(2)9-16(19(30)11-20(26)29-4)21(27)25-18(22(28)23-3)10-14-12-24-17-8-6-5-7-15(14)17/h5-8,12-13,16,18-19,24,30H,9-11H2,1-4H3,(H,23,28)(H,25,27)/t16-,18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat skin type I collagen degradation by purified human lung fibroblast collagenase				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043222 (4-(2-Benzyloxy-1-methylcarbamoyl-propylcarbamoyl)-...) Show SMILES CNC(=O)[C@@H](NC(=O)C(CC(C)C)C(S)CC(=O)OC)C(C)OCc1ccccc1 Show InChI InChI=1S/C22H34N2O5S/c1-14(2)11-17(18(30)12-19(25)28-5)21(26)24-20(22(27)23-4)15(3)29-13-16-9-7-6-8-10-16/h6-10,14-15,17-18,20,30H,11-13H2,1-5H3,(H,23,27)(H,24,26)/t15?,17?,18?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043222 (4-(2-Benzyloxy-1-methylcarbamoyl-propylcarbamoyl)-...) Show SMILES CNC(=O)[C@@H](NC(=O)C(CC(C)C)C(S)CC(=O)OC)C(C)OCc1ccccc1 Show InChI InChI=1S/C22H34N2O5S/c1-14(2)11-17(18(30)12-19(25)28-5)21(26)24-20(22(27)23-4)15(3)29-13-16-9-7-6-8-10-16/h6-10,14-15,17-18,20,30H,11-13H2,1-5H3,(H,23,27)(H,24,26)/t15?,17?,18?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043235 (2-(1-Mercapto-ethyl)-4-methyl-pentanoic acid [2-(4...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C(CC(C)C)C(C)S Show InChI InChI=1S/C19H30N2O3S/c1-12(2)10-16(13(3)25)18(22)21-17(19(23)20-4)11-14-6-8-15(24-5)9-7-14/h6-9,12-13,16-17,25H,10-11H2,1-5H3,(H,20,23)(H,21,22)/t13?,16?,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat skin type I collagen degradation by purified human lung fibroblast collagenase				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043242 (3-Acetylsulfanyl-4-[2-(1H-indol-3-yl)-1-methylcarb...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)[C@H](CC(=O)OC)SC(C)=O Show InChI InChI=1S/C24H33N3O5S/c1-14(2)10-18(21(33-15(3)28)12-22(29)32-5)23(30)27-20(24(31)25-4)11-16-13-26-19-9-7-6-8-17(16)19/h6-9,13-14,18,20-21,26H,10-12H2,1-5H3,(H,25,31)(H,27,30)/t18-,20+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat skin type I collagen degradation by purified human lung fibroblast collagenase				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043231 (4-[2-(1H-Indol-3-yl)-1-methylcarbamoyl-ethylcarbam...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)OC Show InChI InChI=1S/C22H31N3O4S/c1-13(2)9-16(19(30)11-20(26)29-4)21(27)25-18(22(28)23-3)10-14-12-24-17-8-6-5-7-15(14)17/h5-8,12-13,16,18-19,24,30H,9-11H2,1-4H3,(H,23,28)(H,25,27)/t16-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat skin type I collagen degradation by purified human lung fibroblast collagenase without beta-mercaptoethanol				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043223 (4-[2-(1H-Indol-3-yl)-1-methylcarbamoyl-ethylcarbam...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)[C@H](CC(=O)OC)SS[C@@H](CC(=O)OC)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C44H60N6O8S2/c1-25(2)17-31(41(53)49-35(43(55)45-5)19-27-23-47-33-15-11-9-13-29(27)33)37(21-39(51)57-7)59-60-38(22-40(52)58-8)32(18-26(3)4)42(54)50-36(44(56)46-6)20-28-24-48-34-16-12-10-14-30(28)34/h9-16,23-26,31-32,35-38,47-48H,17-22H2,1-8H3,(H,45,55)(H,46,56)(H,49,53)(H,50,54)/t31-,32-,35+,36+,37+,38+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat skin type I collagen degradation by purified human lung fibroblast collagenase				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043238 (2-Isobutyl-3-mercapto-pentanedioic acid 5-amide 1-...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(N)=O Show InChI InChI=1S/C20H31N3O4S/c1-12(2)9-15(17(28)11-18(21)24)19(25)23-16(20(26)22-3)10-13-5-7-14(27-4)8-6-13/h5-8,12,15-17,28H,9-11H2,1-4H3,(H2,21,24)(H,22,26)(H,23,25)/t15-,16+,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043230 (3-Mercapto-4-[2-(4-methoxy-phenyl)-1-methylcarbamo...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(O)=O Show InChI InChI=1S/C20H30N2O5S/c1-12(2)9-15(17(28)11-18(23)24)19(25)22-16(20(26)21-3)10-13-5-7-14(27-4)8-6-13/h5-8,12,15-17,28H,9-11H2,1-4H3,(H,21,26)(H,22,25)(H,23,24)/t15-,16+,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043229 (CHEMBL130164 | {3-Mercapto-4-[2-(4-methoxy-phenyl)...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)NCC(O)=O Show InChI InChI=1S/C22H33N3O6S/c1-13(2)9-16(18(32)11-19(26)24-12-20(27)28)21(29)25-17(22(30)23-3)10-14-5-7-15(31-4)8-6-14/h5-8,13,16-18,32H,9-12H2,1-4H3,(H,23,30)(H,24,26)(H,25,29)(H,27,28)/t16-,17+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043243 (2-Isobutyl-3-mercapto-pentanedioic acid 5-carbamoy...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)NCC(N)=O Show InChI InChI=1S/C22H34N4O5S/c1-13(2)9-16(18(32)11-20(28)25-12-19(23)27)21(29)26-17(22(30)24-3)10-14-5-7-15(31-4)8-6-14/h5-8,13,16-18,32H,9-12H2,1-4H3,(H2,23,27)(H,24,30)(H,25,28)(H,26,29)/t16-,17+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043232 (3-Mercapto-4-[2-(4-methoxy-phenyl)-1-methylcarbamo...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(C)C)[C@H](S)CC(=O)OCc1ccccc1 Show InChI InChI=1S/C27H36N2O5S/c1-18(2)14-22(24(35)16-25(30)34-17-20-8-6-5-7-9-20)26(31)29-23(27(32)28-3)15-19-10-12-21(33-4)13-11-19/h5-13,18,22-24,35H,14-17H2,1-4H3,(H,28,32)(H,29,31)/t22-,23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043220 (3-Acetylsulfanyl-4-[2-(4-methoxy-phenyl)-1-methylc...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](CC(=O)OC)SC(C)=O Show InChI InChI=1S/C23H34N2O6S/c1-14(2)11-18(20(32-15(3)26)13-21(27)31-6)22(28)25-19(23(29)24-4)12-16-7-9-17(30-5)10-8-16/h7-10,14,18-20H,11-13H2,1-6H3,(H,24,29)(H,25,28)/t18-,19+,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043224 (3-Mercapto-4-[2-(4-methoxy-phenyl)-1-methylcarbamo...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)OCc1ccccc1 Show InChI InChI=1S/C27H36N2O5S/c1-18(2)14-22(24(35)16-25(30)34-17-20-8-6-5-7-9-20)26(31)29-23(27(32)28-3)15-19-10-12-21(33-4)13-11-19/h5-13,18,22-24,35H,14-17H2,1-4H3,(H,28,32)(H,29,31)/t22-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat skin type I collagen degradation by purified human lung fibroblast collagenase without beta-mercaptoethanol				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043225 (2-Isobutyl-3-mercapto-5-(4-methyl-piperazin-1-yl)-...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)N1CCN(C)CC1 Show InChI InChI=1S/C25H40N4O4S/c1-17(2)14-20(22(34)16-23(30)29-12-10-28(4)11-13-29)24(31)27-21(25(32)26-3)15-18-6-8-19(33-5)9-7-18/h6-9,17,20-22,34H,10-16H2,1-5H3,(H,26,32)(H,27,31)/t20-,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043234 (2-Isobutyl-3-mercapto-pentanedioic acid 1-{[2-(4-m...) Show SMILES CNC(=O)C[C@H](S)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC Show InChI InChI=1S/C21H33N3O4S/c1-13(2)10-16(18(29)12-19(25)22-3)20(26)24-17(21(27)23-4)11-14-6-8-15(28-5)9-7-14/h6-9,13,16-18,29H,10-12H2,1-5H3,(H,22,25)(H,23,27)(H,24,26)/t16-,17+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043233 (4-(1-Carbamoyl-2-phenyl-ethylcarbamoyl)-3-mercapto...) Show SMILES COC(=O)C[C@H](S)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C19H28N2O4S/c1-12(2)9-14(16(26)11-17(22)25-3)19(24)21-15(18(20)23)10-13-7-5-4-6-8-13/h4-8,12,14-16,26H,9-11H2,1-3H3,(H2,20,23)(H,21,24)/t14-,15+,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043233 (4-(1-Carbamoyl-2-phenyl-ethylcarbamoyl)-3-mercapto...) Show SMILES COC(=O)C[C@H](S)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C19H28N2O4S/c1-12(2)9-14(16(26)11-17(22)25-3)19(24)21-15(18(20)23)10-13-7-5-4-6-8-13/h4-8,12,14-16,26H,9-11H2,1-3H3,(H2,20,23)(H,21,24)/t14-,15+,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043240 (CHEMBL128406 | {3-Mercapto-4-[2-(4-methoxy-phenyl)...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)NCC(=O)OC(C)(C)C Show InChI InChI=1S/C26H41N3O6S/c1-16(2)12-19(21(36)14-22(30)28-15-23(31)35-26(3,4)5)24(32)29-20(25(33)27-6)13-17-8-10-18(34-7)11-9-17/h8-11,16,19-21,36H,12-15H2,1-7H3,(H,27,33)(H,28,30)(H,29,32)/t19-,20+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043226 (4-[2-(1H-Indol-3-yl)-1-methylcarbamoyl-ethylcarbam...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(C)C)C(S)CC(=O)OC Show InChI InChI=1S/C22H31N3O4S/c1-13(2)9-16(19(30)11-20(26)29-4)21(27)25-18(22(28)23-3)10-14-12-24-17-8-6-5-7-15(14)17/h5-8,12-13,16,18-19,24,30H,9-11H2,1-4H3,(H,23,28)(H,25,27)/t16?,18-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat skin type I collagen degradation by purified human lung fibroblast collagenase				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043226 (4-[2-(1H-Indol-3-yl)-1-methylcarbamoyl-ethylcarbam...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(C)C)C(S)CC(=O)OC Show InChI InChI=1S/C22H31N3O4S/c1-13(2)9-16(19(30)11-20(26)29-4)21(27)25-18(22(28)23-3)10-14-12-24-17-8-6-5-7-15(14)17/h5-8,12-13,16,18-19,24,30H,9-11H2,1-4H3,(H,23,28)(H,25,27)/t16?,18-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat skin type I collagen degradation by purified human lung fibroblast collagenase				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043236 (2-{3-Mercapto-4-[2-(4-methoxy-phenyl)-1-methylcarb...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)NC(CC(C)C)C(O)=O Show InChI InChI=1S/C26H41N3O6S/c1-15(2)11-19(22(36)14-23(30)28-21(26(33)34)12-16(3)4)24(31)29-20(25(32)27-5)13-17-7-9-18(35-6)10-8-17/h7-10,15-16,19-22,36H,11-14H2,1-6H3,(H,27,32)(H,28,30)(H,29,31)(H,33,34)/t19-,20+,21?,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043239 (2-{3-Mercapto-4-[2-(4-methoxy-phenyl)-1-methylcarb...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)NC(CC(C)C)C(=O)OC(C)(C)C Show InChI InChI=1S/C30H49N3O6S/c1-18(2)14-22(25(40)17-26(34)32-24(15-19(3)4)29(37)39-30(5,6)7)27(35)33-23(28(36)31-8)16-20-10-12-21(38-9)13-11-20/h10-13,18-19,22-25,40H,14-17H2,1-9H3,(H,31,36)(H,32,34)(H,33,35)/t22-,23+,24?,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043241 (3-Mercapto-4-[2-(4-methoxy-phenyl)-1-methylcarbamo...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C(CC(C)C)C(S)CC(=O)OCc1ccccc1 Show InChI InChI=1S/C27H36N2O5S/c1-18(2)14-22(24(35)16-25(30)34-17-20-8-6-5-7-9-20)26(31)29-23(27(32)28-3)15-19-10-12-21(33-4)13-11-19/h5-13,18,22-24,35H,14-17H2,1-4H3,(H,28,32)(H,29,31)/t22?,23-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043241 (3-Mercapto-4-[2-(4-methoxy-phenyl)-1-methylcarbamo...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C(CC(C)C)C(S)CC(=O)OCc1ccccc1 Show InChI InChI=1S/C27H36N2O5S/c1-18(2)14-22(24(35)16-25(30)34-17-20-8-6-5-7-9-20)26(31)29-23(27(32)28-3)15-19-10-12-21(33-4)13-11-19/h5-13,18,22-24,35H,14-17H2,1-4H3,(H,28,32)(H,29,31)/t22?,23-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043223 (4-[2-(1H-Indol-3-yl)-1-methylcarbamoyl-ethylcarbam...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)[C@H](CC(=O)OC)SS[C@@H](CC(=O)OC)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C44H60N6O8S2/c1-25(2)17-31(41(53)49-35(43(55)45-5)19-27-23-47-33-15-11-9-13-29(27)33)37(21-39(51)57-7)59-60-38(22-40(52)58-8)32(18-26(3)4)42(54)50-36(44(56)46-6)20-28-24-48-34-16-12-10-14-30(28)34/h9-16,23-26,31-32,35-38,47-48H,17-22H2,1-8H3,(H,45,55)(H,46,56)(H,49,53)(H,50,54)/t31-,32-,35+,36+,37+,38+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat skin type I collagen degradation by purified human lung fibroblast collagenase without beta-mercaptoethanol				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair