BDBM50448847 CHEMBL3125238

SMILES: CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NC2CCCC2)n(C)n1

InChI Key: InChIKey=PYGOANSJMZNZEL-GCJKJVERSA-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 = 50448847   

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
Enoyl-ACP Reductase (InhA) (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50448847 (CHEMBL3125238) Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NC2CCCC2)n(C)n1 |r| Show InChI InChI=1S/C26H31N5O4/c1-3-16-12-21(30(2)29-16)24(32)28-18-13-22(25(33)27-17-8-4-5-9-17)31(14-18)26(34)20-15-35-23-11-7-6-10-19(20)23/h6-7,10-12,15,17-18,22H,3-5,8-9,13-14H2,1-2H3,(H,27,33)(H,28,32)/t18-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...				J Med Chem 57: 1276-88 (2014) Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB
					More data for this Ligand-Target Pair