BDBM50082983 (2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propyl)-N*4*-hydroxy-2-isobutyl-3-(quinolin-8-ylmethoxy)-succinamide::CHEMBL144188

SMILES: CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cccc2cccnc12)C(=O)NO)C(C)(C)C

InChI Key: InChIKey=BRZXSVRUJXSSFG-HLAWJBBLSA-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 = 50082983   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50082983 ((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cccc2cccnc12)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C25H36N4O5/c1-15(2)13-18(22(30)28-21(24(32)26-6)25(3,4)5)20(23(31)29-33)34-14-17-10-7-9-16-11-8-12-27-19(16)17/h7-12,15,18,20-21,33H,13-14H2,1-6H3,(H,26,32)(H,28,30)(H,29,31)/t18-,20+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.				J Med Chem 42: 4890-908 (1999) BindingDB Entry DOI: 10.7270/Q2HM57NS
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50082983 ((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cccc2cccnc12)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C25H36N4O5/c1-15(2)13-18(22(30)28-21(24(32)26-6)25(3,4)5)20(23(31)29-33)34-14-17-10-7-9-16-11-8-12-27-19(16)17/h7-12,15,18,20-21,33H,13-14H2,1-6H3,(H,26,32)(H,28,30)(H,29,31)/t18-,20+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of TNF(tumor necrosis factor) in human blood				J Med Chem 42: 4890-908 (1999) BindingDB Entry DOI: 10.7270/Q2HM57NS
					More data for this Ligand-Target Pair