BDBM25796 5-{[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl}-1H-indole::piperazine, p3
SMILES: O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1ccc2[nH]ccc2c1
InChI Key: InChIKey=YYMZSGIXLQPFAC-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...) | BDBM25796 (5-{[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl}-1H...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem | DrugBank MMDB PDB Article PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis InhA using trans-2-decenoyl-CoA as substrate | 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...) | BDBM25796 (5-{[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl}-1H...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem | DrugBank MMDB PDB Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation | 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 ... | Bioorg Med Chem 15: 6649-58 (2007) Article DOI: 10.1016/j.bmc.2007.08.013 BindingDB Entry DOI: 10.7270/Q24M92VH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |