BDBM8781 1,2,3,4-tetrahydro pyrido[3,4-b]indole 25::4-({2-[(4-aminophenyl)carbonyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-9-yl}methyl)phenol

SMILES: Nc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21

InChI Key: InChIKey=ZCPXMSKVNOHEFZ-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 = 8781   

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)	BDBM8781 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 25 | 4-({2-...) Show SMILES Nc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21 Show InChI InChI=1S/C25H23N3O2/c26-19-9-7-18(8-10-19)25(30)27-14-13-22-21-3-1-2-4-23(21)28(24(22)16-27)15-17-5-11-20(29)12-6-17/h1-12,29H,13-16,26H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+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)	BDBM8781 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 25 | 4-({2-...) Show SMILES Nc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21 Show InChI InChI=1S/C25H23N3O2/c26-19-9-7-18(8-10-19)25(30)27-14-13-22-21-3-1-2-4-23(21)28(24(22)16-27)15-17-5-11-20(29)12-6-17/h1-12,29H,13-16,26H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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