BDBM8789 1,2,3,4-tetrahydro pyrido[3,4-b]indole 33::2-chloro-4-({9-[(4-hydroxyphenyl)methyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}carbonyl)phenol

SMILES: Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)c(Cl)c2)cc1

InChI Key: InChIKey=OZJBQBSQGZHHNA-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 = 8789   

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)	BDBM8789 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 33 | 2-chlo...) Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)c(Cl)c2)cc1 Show InChI InChI=1S/C25H21ClN2O3/c26-21-13-17(7-10-24(21)30)25(31)27-12-11-20-19-3-1-2-4-22(19)28(23(20)15-27)14-16-5-8-18(29)9-6-16/h1-10,13,29-30H,11-12,14-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+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
Enoyl-ACP Reductase (FabI) (Staphylococcus aureus)	BDBM8789 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 33 | 2-chlo...) Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)c(Cl)c2)cc1 Show InChI InChI=1S/C25H21ClN2O3/c26-21-13-17(7-10-24(21)30)25(31)27-12-11-20-19-3-1-2-4-22(19)28(23(20)15-27)14-16-5-8-18(29)9-6-16/h1-10,13,29-30H,11-12,14-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	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