BDBM50418852 CHEMBL1800529

SMILES: COc1ccnc(CCc2nc3nc(C)cc(C)c3[nH]2)c1

InChI Key: InChIKey=WTIYHTZINRBDAQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50418852   

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 (Homo sapiens (Human))	BDBM50418852 (CHEMBL1800529) Show SMILES COc1ccnc(CCc2nc3nc(C)cc(C)c3[nH]2)c1 Show InChI InChI=1S/C16H18N4O/c1-10-8-11(2)18-16-15(10)19-14(20-16)5-4-12-9-13(21-3)6-7-17-12/h6-9H,4-5H2,1-3H3,(H,18,19,20)	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	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting				Bioorg Med Chem Lett 21: 4228-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.073 BindingDB Entry DOI: 10.7270/Q2H996GJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50418852 (CHEMBL1800529) Show SMILES COc1ccnc(CCc2nc3nc(C)cc(C)c3[nH]2)c1 Show InChI InChI=1S/C16H18N4O/c1-10-8-11(2)18-16-15(10)19-14(20-16)5-4-12-9-13(21-3)6-7-17-12/h6-9H,4-5H2,1-3H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting				Bioorg Med Chem Lett 21: 4228-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.073 BindingDB Entry DOI: 10.7270/Q2H996GJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50418852 (CHEMBL1800529) Show SMILES COc1ccnc(CCc2nc3nc(C)cc(C)c3[nH]2)c1 Show InChI InChI=1S/C16H18N4O/c1-10-8-11(2)18-16-15(10)19-14(20-16)5-4-12-9-13(21-3)6-7-17-12/h6-9H,4-5H2,1-3H3,(H,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting				Bioorg Med Chem Lett 21: 4228-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.073 BindingDB Entry DOI: 10.7270/Q2H996GJ
					More data for this Ligand-Target Pair