BDBM50386892 CHEMBL2048512::MMP inhibitor III

SMILES: CNC(=O)C(CCc1ccccc1)NC(=O)C(CC(C)C)CC(=O)NO

InChI Key: InChIKey=FQRZOEBSTPAQBJ-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50386892   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Matrix metalloproteinase-1 (cd-MMP-1) (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 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
Matrix metalloproteinase-12 (MMP12) (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay				Bioorg Med Chem 20: 4164-71 (2012) Article DOI: 10.1016/j.bmc.2012.04.063 BindingDB Entry DOI: 10.7270/Q22808NT
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay				Bioorg Med Chem 20: 4164-71 (2012) Article DOI: 10.1016/j.bmc.2012.04.063 BindingDB Entry DOI: 10.7270/Q22808NT
					More data for this Ligand-Target Pair
Interstitial collagenase (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain incubated for 20 mins by fluorimetric assay				Bioorg Med Chem 20: 4164-71 (2012) Article DOI: 10.1016/j.bmc.2012.04.063 BindingDB Entry DOI: 10.7270/Q22808NT
					More data for this Ligand-Target Pair
Collagenase 3 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay				Bioorg Med Chem 20: 4164-71 (2012) Article DOI: 10.1016/j.bmc.2012.04.063 BindingDB Entry DOI: 10.7270/Q22808NT
					More data for this Ligand-Target Pair