BDBM50361620 CHEMBL1939862

SMILES: CCOC(=O)c1cc2cc(ccc2[nH]1)C(N)=O

InChI Key: InChIKey=HNSDWMLOQWSYEZ-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50361620   

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-14 (MMP14) (Homo sapiens (Human))	BDBM50361620 (CHEMBL1939862) Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)C(N)=O Show InChI InChI=1S/C12H12N2O3/c1-2-17-12(16)10-6-8-5-7(11(13)15)3-4-9(8)14-10/h3-6,14H,2H2,1H3,(H2,13,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP14 after 60 mins by fluorimetry				J Med Chem 54: 8174-87 (2011) Article DOI: 10.1021/jm201129m BindingDB Entry DOI: 10.7270/Q2C53M9C
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50361620 (CHEMBL1939862) Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)C(N)=O Show InChI InChI=1S/C12H12N2O3/c1-2-17-12(16)10-6-8-5-7(11(13)15)3-4-9(8)14-10/h3-6,14H,2H2,1H3,(H2,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 after 30 mins by fluorimetry				J Med Chem 54: 8174-87 (2011) Article DOI: 10.1021/jm201129m BindingDB Entry DOI: 10.7270/Q2C53M9C
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50361620 (CHEMBL1939862) Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)C(N)=O Show InChI InChI=1S/C12H12N2O3/c1-2-17-12(16)10-6-8-5-7(11(13)15)3-4-9(8)14-10/h3-6,14H,2H2,1H3,(H2,13,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of human MMP13 expressed in Escherichia coli after 30 mins by fluorimetry				J Med Chem 54: 8174-87 (2011) Article DOI: 10.1021/jm201129m BindingDB Entry DOI: 10.7270/Q2C53M9C
					More data for this Ligand-Target Pair				3D Structure (crystal)