Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Interstitial collagenase [100-268]'   

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 [100-268] (Homo sapiens (Human))	BDBM50386892 (CHEMBL2048512 | MMP inhibitor III) Show SMILES CNC(=O)C(CCc1ccccc1)NC(=O)C(CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O4/c1-13(2)11-15(12-17(23)22-26)18(24)21-16(19(25)20-3)10-9-14-7-5-4-6-8-14/h4-8,13,15-16,26H,9-12H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	n/a
East China University of Science and Technology					Assay Description The activity of cd-MMP-1 was measured using a fluorescence-based assay. It was performed in white 96-well half area microplate (Greiner) in a final v...				J Enzyme Inhib Med Chem 28: 741-6 (2013) Article DOI: 10.3109/14756366.2012.681650 BindingDB Entry DOI: 10.7270/Q2PC3196
					More data for this Ligand-Target Pair
Interstitial collagenase [100-268] (Homo sapiens (Human))	BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C21H27N3O8S2/c1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18/h5-12,20,26H,13-14H2,1-4H3,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	n/a
East China University of Science and Technology					Assay Description The activity of cd-MMP-1 was measured using a fluorescence-based assay. It was performed in white 96-well half area microplate (Greiner) in a final v...				J Enzyme Inhib Med Chem 28: 741-6 (2013) Article DOI: 10.3109/14756366.2012.681650 BindingDB Entry DOI: 10.7270/Q2PC3196
					More data for this Ligand-Target Pair
Interstitial collagenase [100-268] (Homo sapiens (Human))	BDBM7462 (3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	7.5	n/a
East China University of Science and Technology					Assay Description The activity of cd-MMP-1 was measured using a fluorescence-based assay. It was performed in white 96-well half area microplate (Greiner) in a final v...				J Enzyme Inhib Med Chem 28: 741-6 (2013) Article DOI: 10.3109/14756366.2012.681650 BindingDB Entry DOI: 10.7270/Q2PC3196
					More data for this Ligand-Target Pair
Interstitial collagenase [100-268] (Homo sapiens (Human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	7.5	n/a
East China University of Science and Technology					Assay Description The activity of cd-MMP-1 was measured using a fluorescence-based assay. It was performed in white 96-well half area microplate (Greiner) in a final v...				J Enzyme Inhib Med Chem 28: 741-6 (2013) Article DOI: 10.3109/14756366.2012.681650 BindingDB Entry DOI: 10.7270/Q2PC3196
					More data for this Ligand-Target Pair
Interstitial collagenase [100-268] (Homo sapiens (Human))	BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.92E+3	n/a	n/a	n/a	n/a	7.5	n/a
East China University of Science and Technology					Assay Description The activity of cd-MMP-1 was measured using a fluorescence-based assay. It was performed in white 96-well half area microplate (Greiner) in a final v...				J Enzyme Inhib Med Chem 28: 741-6 (2013) Article DOI: 10.3109/14756366.2012.681650 BindingDB Entry DOI: 10.7270/Q2PC3196
					More data for this Ligand-Target Pair
Interstitial collagenase [100-268] (Homo sapiens (Human))	BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.03E+3	n/a	n/a	n/a	n/a	7.5	n/a
East China University of Science and Technology					Assay Description The activity of cd-MMP-1 was measured using a fluorescence-based assay. It was performed in white 96-well half area microplate (Greiner) in a final v...				J Enzyme Inhib Med Chem 28: 741-6 (2013) Article DOI: 10.3109/14756366.2012.681650 BindingDB Entry DOI: 10.7270/Q2PC3196
					More data for this Ligand-Target Pair
Interstitial collagenase [100-268] (Homo sapiens (Human))	BDBM7462 (3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.92E+3	n/a	n/a	n/a	n/a	7.5	n/a
East China University of Science and Technology					Assay Description The activity of cd-MMP-1 was measured using a fluorescence-based assay. It was performed in white 96-well half area microplate (Greiner) in a final v...				J Enzyme Inhib Med Chem 28: 741-6 (2013) Article DOI: 10.3109/14756366.2012.681650 BindingDB Entry DOI: 10.7270/Q2PC3196
					More data for this Ligand-Target Pair
Interstitial collagenase [100-268] (Homo sapiens (Human))	BDBM26658 (2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...) Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.85E+3	n/a	n/a	n/a	n/a	7.5	n/a
East China University of Science and Technology					Assay Description The activity of cd-MMP-1 was measured using a fluorescence-based assay. It was performed in white 96-well half area microplate (Greiner) in a final v...				J Enzyme Inhib Med Chem 28: 741-6 (2013) Article DOI: 10.3109/14756366.2012.681650 BindingDB Entry DOI: 10.7270/Q2PC3196
					More data for this Ligand-Target Pair