BDBM8761 1,2,3,4-Tetrahydropyrido[3,4-b]indole 6::4-{1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-ylcarbonyl}phenol

SMILES: Oc1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21

InChI Key: InChIKey=KEBXFLCCYVJERH-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 2 hits for monomerid = 8761   

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 (FabI) (Escherichia coli)	BDBM8761 (1,2,3,4-Tetrahydropyrido[3,4-b]indole 6 | 4-{1H,2H...) Show SMILES Oc1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C18H16N2O2/c21-13-7-5-12(6-8-13)18(22)20-10-9-15-14-3-1-2-4-16(14)19-17(15)11-20/h1-8,19,21H,9-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-ACP Reductase (FabI) (Staphylococcus aureus)	BDBM8761 (1,2,3,4-Tetrahydropyrido[3,4-b]indole 6 | 4-{1H,2H...) Show SMILES Oc1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C18H16N2O2/c21-13-7-5-12(6-8-13)18(22)20-10-9-15-14-3-1-2-4-16(14)19-17(15)11-20/h1-8,19,21H,9-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair