BDBM50387552 CHEMBL2057690

SMILES: CN[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1

InChI Key: InChIKey=WJAHDTDQGCSHHB-CWJKEVGVSA-N

Data: 3 KI

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 = 50387552   

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 (Cavia porcellus (domestic guinea pig))	BDBM50387552 (CHEMBL2057690) Show SMILES CN[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1 |r,t:9,THB:19:18:5:9.10.8| Show InChI InChI=1S/C21H34N2O/c1-22-17-8-9-21(24)19-12-16-4-2-3-5-18(16)20(21,13-17)10-11-23(19)14-15-6-7-15/h15,17,19,22,24H,2-14H2,1H3/t17-,19-,20-,21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	352	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebellum				Bioorg Med Chem Lett 22: 5071-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.122 BindingDB Entry DOI: 10.7270/Q2DB82XR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50387552 (CHEMBL2057690) Show SMILES CN[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1 |r,t:9,THB:19:18:5:9.10.8| Show InChI InChI=1S/C21H34N2O/c1-22-17-8-9-21(24)19-12-16-4-2-3-5-18(16)20(21,13-17)10-11-23(19)14-15-6-7-15/h15,17,19,22,24H,2-14H2,1H3/t17-,19-,20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in mouse cerebellum				Bioorg Med Chem Lett 22: 5071-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.122 BindingDB Entry DOI: 10.7270/Q2DB82XR
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50387552 (CHEMBL2057690) Show SMILES CN[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1 |r,t:9,THB:19:18:5:9.10.8| Show InChI InChI=1S/C21H34N2O/c1-22-17-8-9-21(24)19-12-16-4-2-3-5-18(16)20(21,13-17)10-11-23(19)14-15-6-7-15/h15,17,19,22,24H,2-14H2,1H3/t17-,19-,20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse cerebellum				Bioorg Med Chem Lett 22: 5071-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.122 BindingDB Entry DOI: 10.7270/Q2DB82XR
					More data for this Ligand-Target Pair