BDBM50448858 CHEMBL3125278

SMILES: CCNC[C@@H]1C[C@H](CN1C(=O)c1coc2ccccc12)NC(=O)c1cc(CC)nn1C

InChI Key: InChIKey=VSFRCFYTQMQREM-SJORKVTESA-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 = 50448858   

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...)	BDBM50448858 (CHEMBL3125278) Show SMILES CCNC[C@@H]1C[C@H](CN1C(=O)c1coc2ccccc12)NC(=O)c1cc(CC)nn1C |r| Show InChI InChI=1S/C23H29N5O3/c1-4-15-11-20(27(3)26-15)22(29)25-16-10-17(12-24-5-2)28(13-16)23(30)19-14-31-21-9-7-6-8-18(19)21/h6-9,11,14,16-17,24H,4-5,10,12-13H2,1-3H3,(H,25,29)/t16-,17+/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	440	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