BDBM50386384 CHEMBL2046874

SMILES: CCOc1ccc(Cc2nc3cc(ccc3n2CCC2CCCN2C)N=C(N)c2cccs2)cc1

InChI Key: InChIKey=RYNLDURYEJGSKJ-UHFFFAOYSA-N

Data: 1 KI  2 IC50  1 EC50

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 4 hits for monomerid = 50386384   

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))	BDBM50386384 (CHEMBL2046874) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC2CCCN2C)N=C(N)c2cccs2)cc1 |w:25.27| Show InChI InChI=1S/C28H33N5OS/c1-3-34-23-11-8-20(9-12-23)18-27-31-24-19-21(30-28(29)26-7-5-17-35-26)10-13-25(24)33(27)16-14-22-6-4-15-32(22)2/h5,7-13,17,19,22H,3-4,6,14-16,18H2,1-2H3,(H2,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	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, endothelial (Homo sapiens (Human))	BDBM50386384 (CHEMBL2046874) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC2CCCN2C)N=C(N)c2cccs2)cc1 |w:25.27| Show InChI InChI=1S/C28H33N5OS/c1-3-34-23-11-8-20(9-12-23)18-27-31-24-19-21(30-28(29)26-7-5-17-35-26)10-13-25(24)33(27)16-14-22-6-4-15-32(22)2/h5,7-13,17,19,22H,3-4,6,14-16,18H2,1-2H3,(H2,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.04E+3	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386384 (CHEMBL2046874) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC2CCCN2C)N=C(N)c2cccs2)cc1 |w:25.27| Show InChI InChI=1S/C28H33N5OS/c1-3-34-23-11-8-20(9-12-23)18-27-31-24-19-21(30-28(29)26-7-5-17-35-26)10-13-25(24)33(27)16-14-22-6-4-15-32(22)2/h5,7-13,17,19,22H,3-4,6,14-16,18H2,1-2H3,(H2,29,30)	PDB 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	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 1 hr by HTRF ...				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))	BDBM50386384 (CHEMBL2046874) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC2CCCN2C)N=C(N)c2cccs2)cc1 |w:25.27| Show InChI InChI=1S/C28H33N5OS/c1-3-34-23-11-8-20(9-12-23)18-27-31-24-19-21(30-28(29)26-7-5-17-35-26)10-13-25(24)33(27)16-14-22-6-4-15-32(22)2/h5,7-13,17,19,22H,3-4,6,14-16,18H2,1-2H3,(H2,29,30)	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	1.77E+3	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