BDBM50492295 CHEMBL2397625

SMILES: COc1cc(N)c(C2=NN(CC2)C(=O)c2ccccc2)c(OC)c1OC

InChI Key: InChIKey=LJBWORYHTOQHKW-UHFFFAOYSA-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 = 50492295   

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, brain (Homo sapiens (Human))	BDBM50492295 (CHEMBL2397625) Show SMILES COc1cc(N)c(C2=NN(CC2)C(=O)c2ccccc2)c(OC)c1OC |t:7| Show InChI InChI=1S/C19H21N3O4/c1-24-15-11-13(20)16(18(26-3)17(15)25-2)14-9-10-22(21-14)19(23)12-7-5-4-6-8-12/h4-8,11H,9-10,20H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of recombinant nNOS (unknown origin) assessed as conversion of L-[3H]-arginine to L-[3H]-citrulline after 30 mins				Bioorg Med Chem 21: 4132-42 (2013) Article DOI: 10.1016/j.bmc.2013.05.016 BindingDB Entry DOI: 10.7270/Q2CV4MPK
					More data for this Ligand-Target Pair