BDBM50387551 CHEMBL2057689

SMILES: O[C@@]12CCC(=O)C[C@@]11CCN(CC3CC3)[C@@H]2CC2=C1CCCC2

InChI Key: InChIKey=HPLRQVSNTINHPV-VAMGGRTRSA-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 = 50387551   

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 (MOUSE)	BDBM50387551 (CHEMBL2057689) Show SMILES O[C@@]12CCC(=O)C[C@@]11CCN(CC3CC3)[C@@H]2CC2=C1CCCC2 |r,c:20,THB:11:10:1:17.18.16| Show InChI InChI=1S/C20H29NO2/c22-16-7-8-20(23)18-11-15-3-1-2-4-17(15)19(20,12-16)9-10-21(18)13-14-5-6-14/h14,18,23H,1-13H2/t18-,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	391	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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50387551 (CHEMBL2057689) Show SMILES O[C@@]12CCC(=O)C[C@@]11CCN(CC3CC3)[C@@H]2CC2=C1CCCC2 |r,c:20,THB:11:10:1:17.18.16| Show InChI InChI=1S/C20H29NO2/c22-16-7-8-20(23)18-11-15-3-1-2-4-17(15)19(20,12-16)9-10-21(18)13-14-5-6-14/h14,18,23H,1-13H2/t18-,19-,20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	787	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
Delta-type opioid receptor (MOUSE)	BDBM50387551 (CHEMBL2057689) Show SMILES O[C@@]12CCC(=O)C[C@@]11CCN(CC3CC3)[C@@H]2CC2=C1CCCC2 |r,c:20,THB:11:10:1:17.18.16| Show InChI InChI=1S/C20H29NO2/c22-16-7-8-20(23)18-11-15-3-1-2-4-17(15)19(20,12-16)9-10-21(18)13-14-5-6-14/h14,18,23H,1-13H2/t18-,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	939	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