BDBM50520248 CHEMBL4557187

SMILES: C[C@H]1OC(=O)[C@H](NC(=O)[C@@H](C)[C@@H](O)[C@H](Cc2cccnc2)NC(=O)[C@H]1NC(=O)c1ncccc1O)C1CCCCC1

InChI Key: InChIKey=JISHFQFGLBLSSX-VNRFVBHESA-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 = 50520248   

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-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50520248 (CHEMBL4557187) Show SMILES C[C@H]1OC(=O)[C@H](NC(=O)[C@@H](C)[C@@H](O)[C@H](Cc2cccnc2)NC(=O)[C@H]1NC(=O)c1ncccc1O)C1CCCCC1 |r| Show InChI InChI=1S/C29H37N5O7/c1-16-25(36)20(14-18-8-6-12-30-15-18)32-27(38)22(33-28(39)24-21(35)11-7-13-31-24)17(2)41-29(40)23(34-26(16)37)19-9-4-3-5-10-19/h6-8,11-13,15-17,19-20,22-23,25,35-36H,3-5,9-10,14H2,1-2H3,(H,32,38)(H,33,39)(H,34,37)/t16-,17+,20-,22-,23+,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.91E+5	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Inhibition of bacterial InhA harboring S94A mutant using 2-trans-octenoyl-CoA or 2-trans-dodecenoyl-CoA as substrate				J Med Chem 63: 1105-1131 (2020) Article DOI: 10.1021/acs.jmedchem.9b01457
					More data for this Ligand-Target Pair