BDBM50096343 CHEMBL3577133

SMILES: Brc1cccc2CCC3(C=C(C#N)C(=O)C=C3c12)C#C

InChI Key: InChIKey=MWMQZWHTDDSCOT-ACCUITESSA-N

Data: 1 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 1 hit for monomerid = 50096343   

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
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50096343 (CHEMBL3577133) Show SMILES Brc1cccc2CCC3(C=C(C#N)C(=O)C=C3c12)C#C |c:15,t:9| Show InChI InChI=1S/C25H20ClFN4O/c26-20-7-1-2-8-22(20)31-24(29-21-12-10-17(27)16-19(21)25(31)32)13-11-18-6-5-9-23(28-18)30-14-3-4-15-30/h1-2,5-13,16H,3-4,14-15H2/b13-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of iNOS in LPS-stimulated mouse RAW264.7 cells assessed as inhibition of nitric oxide production after 48 hrs by Griess assay				J Med Chem 58: 4738-48 (2015) Article DOI: 10.1021/acs.jmedchem.5b00393 BindingDB Entry DOI: 10.7270/Q2V126J4
					More data for this Ligand-Target Pair