BDBM50229183 CHEMBL3144587

SMILES: Clc1ccc(Cn2[nH]c3ccccc3c2=O)cn1

InChI Key: InChIKey=KBQIVVWCODTHSC-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50229183   

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 (RAT)	BDBM50229183 (CHEMBL3144587) Show SMILES Clc1ccc(Cn2[nH]c3ccccc3c2=O)cn1 Show InChI InChI=1S/C13H10ClN3O/c14-12-6-5-9(7-15-12)8-17-13(18)10-3-1-2-4-11(10)16-17/h1-7,16H,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharma Curated by ChEMBL					Assay Description In vitro inhibition of PGE-2 (PG) production in rat blood; 3-30				J Med Chem 34: 1028-36 (1991) BindingDB Entry DOI: 10.7270/Q28G8MXH
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50229183 (CHEMBL3144587) Show SMILES Clc1ccc(Cn2[nH]c3ccccc3c2=O)cn1 Show InChI InChI=1S/C13H10ClN3O/c14-12-6-5-9(7-15-12)8-17-13(18)10-3-1-2-4-11(10)16-17/h1-7,16H,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharma Curated by ChEMBL					Assay Description In vitro inhibition of LTB4 production was measured in rat blood				J Med Chem 34: 1028-36 (1991) BindingDB Entry DOI: 10.7270/Q28G8MXH
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50229183 (CHEMBL3144587) Show SMILES Clc1ccc(Cn2[nH]c3ccccc3c2=O)cn1 Show InChI InChI=1S/C13H10ClN3O/c14-12-6-5-9(7-15-12)8-17-13(18)10-3-1-2-4-11(10)16-17/h1-7,16H,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
ICI Pharma Curated by ChEMBL					Assay Description Ex vivo inhibition of LTB4 production was measured in dog blood				J Med Chem 34: 1028-36 (1991) BindingDB Entry DOI: 10.7270/Q28G8MXH
					More data for this Ligand-Target Pair