BDBM8791 1,2,3,4-tetrahydro pyrido[3,4-b]indole 35::4-({9-[(4-hydroxyphenyl)methyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}carbonyl)-2,6-dimethylphenol

SMILES: Cc1cc(cc(C)c1O)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21

InChI Key: InChIKey=RTAXQEFKCLFSDS-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 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 = 8791   

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)	BDBM8791 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 35 | 4-({9-...) Show SMILES Cc1cc(cc(C)c1O)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21 Show InChI InChI=1S/C27H26N2O3/c1-17-13-20(14-18(2)26(17)31)27(32)28-12-11-23-22-5-3-4-6-24(22)29(25(23)16-28)15-19-7-9-21(30)10-8-19/h3-10,13-14,30-31H,11-12,15-16H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+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)	BDBM8791 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 35 | 4-({9-...) Show SMILES Cc1cc(cc(C)c1O)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21 Show InChI InChI=1S/C27H26N2O3/c1-17-13-20(14-18(2)26(17)31)27(32)28-12-11-23-22-5-3-4-6-24(22)29(25(23)16-28)15-19-7-9-21(30)10-8-19/h3-10,13-14,30-31H,11-12,15-16H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	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