BDBM15651 N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide::Pyrrolidine Carboxamide Compound s4
SMILES: Brc1cccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1
InChI Key: InChIKey=MVPIURCUINFSAB-UHFFFAOYSA-N
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 |
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Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM15651![]() (N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis InhA using 2-trans-dodecenoyl-CoA as substrate by fluorimetric method | Eur J Med Chem 146: 318-343 (2018) Article DOI: 10.1016/j.ejmech.2018.01.047 BindingDB Entry DOI: 10.7270/Q2GF0X12 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Enoyl-ACP Reductase (InhA) (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM15651![]() (N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 890 | n/a | n/a | n/a | n/a | 6.8 | 23 |
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 | ![]() 3D Structure (crystal) |