BDBM50458761 CHEMBL4206785

SMILES: CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1cc2cccc(OC)c2o1

InChI Key: InChIKey=CXJYUNWTZNVKKT-IAGOWNOFSA-N

Data: 2 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 2 hits for monomerid = 50458761   

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
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50458761 (CHEMBL4206785) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1cc2cccc(OC)c2o1 |r| Show InChI InChI=1S/C22H31N3O6/c1-4-6-7-10-16(17(5-2)25(29)14-26)21(27)23-13-24-22(28)19-12-15-9-8-11-18(30-3)20(15)31-19/h8-9,11-12,14,16-17,29H,4-7,10,13H2,1-3H3,(H,23,27)(H,24,28)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal 6His/flag-tagged BMP1 (121 to 721 residues) expressed in CHO cells using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50458761 (CHEMBL4206785) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1cc2cccc(OC)c2o1 |r| Show InChI InChI=1S/C22H31N3O6/c1-4-6-7-10-16(17(5-2)25(29)14-26)21(27)23-13-24-22(28)19-12-15-9-8-11-18(30-3)20(15)31-19/h8-9,11-12,14,16-17,29H,4-7,10,13H2,1-3H3,(H,23,27)(H,24,28)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP12 (unknown origin)				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair