BDBM50386386 CHEMBL2046871

SMILES: CCOc1ccc(Cc2nc3cc(ccc3n2CCC2CCCN2C)[N+]([O-])=O)cc1

InChI Key: InChIKey=LCSAQCJYMFXOFN-UHFFFAOYSA-N

Data: 1 KI  2 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 = 50386386   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386386 (CHEMBL2046871) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC2CCCN2C)[N+]([O-])=O)cc1 Show InChI InChI=1S/C23H28N4O3/c1-3-30-20-9-6-17(7-10-20)15-23-24-21-16-19(27(28)29)8-11-22(21)26(23)14-12-18-5-4-13-25(18)2/h6-11,16,18H,3-5,12-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50386386 (CHEMBL2046871) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC2CCCN2C)[N+]([O-])=O)cc1 Show InChI InChI=1S/C23H28N4O3/c1-3-30-20-9-6-17(7-10-20)15-23-24-21-16-19(27(28)29)8-11-22(21)26(23)14-12-18-5-4-13-25(18)2/h6-11,16,18H,3-5,12-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant nNOS assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins measured after 45 mins by ...				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50386386 (CHEMBL2046871) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC2CCCN2C)[N+]([O-])=O)cc1 Show InChI InChI=1S/C23H28N4O3/c1-3-30-20-9-6-17(7-10-20)15-23-24-21-16-19(27(28)29)8-11-22(21)26(23)14-12-18-5-4-13-25(18)2/h6-11,16,18H,3-5,12-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.17E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant eNOS assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins measured after 45 mins by ...				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					More data for this Ligand-Target Pair