BDBM50096347 CHEMBL224752

SMILES: [H][C@@]12CC[C@]3(C=C(C#N)C(=O)C=C3[C@@]1(C)C=C(C#N)C(=O)C2(C)C)C#C

InChI Key: InChIKey=FUSNKWRBHQIYAO-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 = 50096347   

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))	BDBM50096347 (CHEMBL224752) Show SMILES [H][C@@]12CC[C@]3(C=C(C#N)C(=O)C=C3[C@@]1(C)C=C(C#N)C(=O)C2(C)C)C#C |r,c:11,t:5,17| Show InChI InChI=1S/C24H20ClFN4O/c1-2-27-15-18-7-5-6-17(28-18)11-13-23-29-21-12-10-16(26)14-19(21)24(31)30(23)22-9-4-3-8-20(22)25/h3-14,27H,2,15H2,1H3/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	1	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