BDBM50320703 5-Benzoyl-8-methoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloride::CHEMBL1164245

SMILES: COc1ccc2n(C(=O)c3ccccc3)c3CCNCc3c2c1

InChI Key: InChIKey=SSJCYIYLFOYNBK-UHFFFAOYSA-N

Data: 2 IC50

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 = 50320703   

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
Cyclooxygenase (Homo sapiens (Human))	BDBM50320703 (5-Benzoyl-8-methoxy-2,3,4,5-tetrahydro-1H-pyrido[4...) Show SMILES COc1ccc2n(C(=O)c3ccccc3)c3CCNCc3c2c1 Show InChI InChI=1S/C19H18N2O2/c1-23-14-7-8-17-15(11-14)16-12-20-10-9-18(16)21(17)19(22)13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille-Nord de France Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as inhibition of 12-hydroxyheptadecatrienoic acid production by HPLC method				Bioorg Med Chem 18: 3910-24 (2010) Article DOI: 10.1016/j.bmc.2010.04.034 BindingDB Entry DOI: 10.7270/Q28K7B16
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50320703 (5-Benzoyl-8-methoxy-2,3,4,5-tetrahydro-1H-pyrido[4...) Show SMILES COc1ccc2n(C(=O)c3ccccc3)c3CCNCc3c2c1 Show InChI InChI=1S/C19H18N2O2/c1-23-14-7-8-17-15(11-14)16-12-20-10-9-18(16)21(17)19(22)13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille-Nord de France Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as inhibition of 12-hydroxyheptadecatrienoic acid production by HPLC method				Bioorg Med Chem 18: 3910-24 (2010) Article DOI: 10.1016/j.bmc.2010.04.034 BindingDB Entry DOI: 10.7270/Q28K7B16
					More data for this Ligand-Target Pair