BDBM15693 1-Cyclohexyl-4-(1-((4-fluorophenyl)(phenyl)methyl)piperazine-4-carbonyl)pyrrolidin-2-one::1-cyclohexyl-4-({4-[(4-fluorophenyl)(phenyl)methyl]piperazin-1-yl}carbonyl)pyrrolidin-2-one::Pyrrolidine Carboxamide Compound p28
SMILES: Fc1ccc(cc1)C(N1CCN(CC1)C(=O)C1CN(C2CCCCC2)C(=O)C1)c1ccccc1
InChI Key: InChIKey=NGRAPHDQXMLRBS-UHFFFAOYSA-N
Data: 1 IC50
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...) | BDBM15693 (1-Cyclohexyl-4-(1-((4-fluorophenyl)(phenyl)methyl)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco | Assay Description The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ... | J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0 | |||||||||||
More data for this Ligand-Target Pair |