null

SMILES: Cc1cccc(O)c1C(=O)C1=CCCCN2CCC[C@@H]12

InChI Key: InChIKey=AZCMQMPXFQYKKJ-AWEZNQCLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50313167   

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
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50313167 ((S,E)-(2,3,5,6,7,9a-hexahydro-1H-pyrrolo[1,2-a]aze...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCCCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C17H21NO2/c1-12-6-4-9-15(19)16(12)17(20)13-7-2-3-10-18-11-5-8-14(13)18/h4,6-7,9,14,19H,2-3,5,8,10-11H2,1H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50313167 ((S,E)-(2,3,5,6,7,9a-hexahydro-1H-pyrrolo[1,2-a]aze...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCCCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C17H21NO2/c1-12-6-4-9-15(19)16(12)17(20)13-7-2-3-10-18-11-5-8-14(13)18/h4,6-7,9,14,19H,2-3,5,8,10-11H2,1H3/t14-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50313167 ((S,E)-(2,3,5,6,7,9a-hexahydro-1H-pyrrolo[1,2-a]aze...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCCCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C17H21NO2/c1-12-6-4-9-15(19)16(12)17(20)13-7-2-3-10-18-11-5-8-14(13)18/h4,6-7,9,14,19H,2-3,5,8,10-11H2,1H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair