BDBM50409253 CHEMBL313936

SMILES: CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCCc1ccccn1)C(=O)NO

InChI Key: InChIKey=FZTRNGNCGLUUAW-HBMCJLEFSA-N

Data: 1 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 1 hit for monomerid = 50409253   

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))	BDBM50409253 (CHEMBL313936) Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCCc1ccccn1)C(=O)NO Show InChI InChI=1S/C25H39N5O6/c1-17(2)16-20-19(23(32)30-35)9-7-15-36-25(34)28-13-6-4-10-21(29-22(20)31)24(33)27-14-11-18-8-3-5-12-26-18/h3,5,8,12,17,19-21,35H,4,6-7,9-11,13-16H2,1-2H3,(H,27,33)(H,28,34)(H,29,31)(H,30,32)/t19-,20+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of LPS-stimulated TNF-alpha release in human whole blood				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair