BDBM50448886 CHEMBL3125255

SMILES: CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)n(C)n1

InChI Key: InChIKey=WICFMCIKXPEQKH-GJZUVCINSA-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 = 50448886   

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...)	BDBM50448886 (CHEMBL3125255) Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)n(C)n1 |r| Show InChI InChI=1S/C31H30FN7O4/c1-3-21-14-25(37(2)35-21)29(40)33-22-15-26(39(17-22)31(42)24-18-43-27-7-5-4-6-23(24)27)30(41)34-28-12-13-38(36-28)16-19-8-10-20(32)11-9-19/h4-14,18,22,26H,3,15-17H2,1-2H3,(H,33,40)(H,34,36,41)/t22-,26+/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	5	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