BDBM50175780 CHEMBL200435::N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)oxy]ethyl}-N'-hydroxy-N-methylurea

SMILES: CN(CCOc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO

InChI Key: InChIKey=GVMUNGGWXRKCEU-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 = 50175780   

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
Stromelysin-1 (Homo sapiens (Human))	BDBM50175780 (CHEMBL200435 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)...) Show SMILES CN(CCOc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO Show InChI InChI=1S/C17H17N3O3/c1-20(17(21)19-22)10-11-23-16-8-6-15(7-9-16)14-4-2-13(12-18)3-5-14/h2-9,22H,10-11H2,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibitory activity against MMP3				Bioorg Med Chem Lett 16: 20-4 (2005) Article DOI: 10.1016/j.bmcl.2005.09.057 BindingDB Entry DOI: 10.7270/Q2K9372X
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50175780 (CHEMBL200435 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)...) Show SMILES CN(CCOc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO Show InChI InChI=1S/C17H17N3O3/c1-20(17(21)19-22)10-11-23-16-8-6-15(7-9-16)14-4-2-13(12-18)3-5-14/h2-9,22H,10-11H2,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibitory activity against MMP8				Bioorg Med Chem Lett 16: 20-4 (2005) Article DOI: 10.1016/j.bmcl.2005.09.057 BindingDB Entry DOI: 10.7270/Q2K9372X
					More data for this Ligand-Target Pair				3D Structure (crystal)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50175780 (CHEMBL200435 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)...) Show SMILES CN(CCOc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO Show InChI InChI=1S/C17H17N3O3/c1-20(17(21)19-22)10-11-23-16-8-6-15(7-9-16)14-4-2-13(12-18)3-5-14/h2-9,22H,10-11H2,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibitory activity against MMP2				Bioorg Med Chem Lett 16: 20-4 (2005) Article DOI: 10.1016/j.bmcl.2005.09.057 BindingDB Entry DOI: 10.7270/Q2K9372X
					More data for this Ligand-Target Pair