null

SMILES: CCN(CC)C(=O)c1ccc(CN2C[C@H]3CC=C([C@@H]2CN3CC=C)c2ccccc2)cc1

InChI Key: InChIKey=ZFAQQXRBRPIUKC-VPUSJEBWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50375379   

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))	BDBM50375379 (CHEMBL260519) Show SMILES CCN(CC)C(=O)c1ccc(CN2C[C@H]3CC=C([C@@H]2CN3CC=C)c2ccccc2)cc1 |wU:18.18,wD:14.21,c:16,TLB:24:17:20.19:13.12,11:12:20.19:15.16.17,THB:21:20:13.12:15.16.17,(-7.97,-38.58,;-6.63,-37.81,;-5.3,-38.58,;-5.3,-40.12,;-6.63,-40.89,;-3.97,-37.82,;-3.97,-36.27,;-2.64,-38.58,;-2.64,-40.13,;-1.31,-40.9,;.02,-40.13,;1.36,-40.9,;2.73,-40.2,;3.78,-39.02,;5.37,-39.07,;6.35,-40.4,;5.89,-41.97,;5.32,-40.73,;4.02,-40.08,;4.86,-38.45,;6.06,-37.71,;7.1,-36.59,;8.61,-36.92,;9.65,-35.8,;4.23,-41.83,;2.73,-41.37,;1.65,-42.46,;2,-43.94,;3.49,-44.38,;4.58,-43.3,;.02,-38.58,;-1.31,-37.82,)| Show InChI InChI=1S/C28H35N3O/c1-4-18-30-21-27-26(23-10-8-7-9-11-23)17-16-25(30)20-31(27)19-22-12-14-24(15-13-22)28(32)29(5-2)6-3/h4,7-15,17,25,27H,1,5-6,16,18-21H2,2-3H3/t25-,27+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from human mu opioid receptor expressed in CHOK1 cells				Bioorg Med Chem 16: 2870-85 (2008) Article DOI: 10.1016/j.bmc.2008.01.004 BindingDB Entry DOI: 10.7270/Q2416XXR
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50375379 (CHEMBL260519) Show SMILES CCN(CC)C(=O)c1ccc(CN2C[C@H]3CC=C([C@@H]2CN3CC=C)c2ccccc2)cc1 |wU:18.18,wD:14.21,c:16,TLB:24:17:20.19:13.12,11:12:20.19:15.16.17,THB:21:20:13.12:15.16.17,(-7.97,-38.58,;-6.63,-37.81,;-5.3,-38.58,;-5.3,-40.12,;-6.63,-40.89,;-3.97,-37.82,;-3.97,-36.27,;-2.64,-38.58,;-2.64,-40.13,;-1.31,-40.9,;.02,-40.13,;1.36,-40.9,;2.73,-40.2,;3.78,-39.02,;5.37,-39.07,;6.35,-40.4,;5.89,-41.97,;5.32,-40.73,;4.02,-40.08,;4.86,-38.45,;6.06,-37.71,;7.1,-36.59,;8.61,-36.92,;9.65,-35.8,;4.23,-41.83,;2.73,-41.37,;1.65,-42.46,;2,-43.94,;3.49,-44.38,;4.58,-43.3,;.02,-38.58,;-1.31,-37.82,)| Show InChI InChI=1S/C28H35N3O/c1-4-18-30-21-27-26(23-10-8-7-9-11-23)17-16-25(30)20-31(27)19-22-12-14-24(15-13-22)28(32)29(5-2)6-3/h4,7-15,17,25,27H,1,5-6,16,18-21H2,2-3H3/t25-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t Curated by ChEMBL					Assay Description Displacement of [3H]deltorphine 2 from human delta opioid receptor expressed in CHOK1 cells				Bioorg Med Chem 16: 2870-85 (2008) Article DOI: 10.1016/j.bmc.2008.01.004 BindingDB Entry DOI: 10.7270/Q2416XXR
					More data for this Ligand-Target Pair