BDBM50374632 CHEMBL272483

SMILES: COCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1

InChI Key: InChIKey=PIISJSXOJJEJHX-BYDLNXCSSA-N

Data: 3 KI  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 = 50374632   

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 (Homo sapiens (Human))	BDBM50374632 (CHEMBL272483) Show SMILES COCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C25H34O9/c1-24-7-5-16-23(28)34-19(15-6-8-31-13-15)12-25(16,2)21(24)20(26)18(11-17(24)22(27)30-4)33-14-32-10-9-29-3/h6,8,13,16-19,21H,5,7,9-12,14H2,1-4H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 1279-86 (2008) Article DOI: 10.1016/j.bmc.2007.10.067 BindingDB Entry DOI: 10.7270/Q2ZK5HJF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50374632 (CHEMBL272483) Show SMILES COCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C25H34O9/c1-24-7-5-16-23(28)34-19(15-6-8-31-13-15)12-25(16,2)21(24)20(26)18(11-17(24)22(27)30-4)33-14-32-10-9-29-3/h6,8,13,16-19,21H,5,7,9-12,14H2,1-4H3/t16-,17-,18-,19-,21-,24-,25-/m0/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
McLean Hospital Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 1279-86 (2008) Article DOI: 10.1016/j.bmc.2007.10.067 BindingDB Entry DOI: 10.7270/Q2ZK5HJF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50374632 (CHEMBL272483) Show SMILES COCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C25H34O9/c1-24-7-5-16-23(28)34-19(15-6-8-31-13-15)12-25(16,2)21(24)20(26)18(11-17(24)22(27)30-4)33-14-32-10-9-29-3/h6,8,13,16-19,21H,5,7,9-12,14H2,1-4H3/t16-,17-,18-,19-,21-,24-,25-/m0/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
McLean Hospital Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 1279-86 (2008) Article DOI: 10.1016/j.bmc.2007.10.067 BindingDB Entry DOI: 10.7270/Q2ZK5HJF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50374632 (CHEMBL272483) Show SMILES COCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C25H34O9/c1-24-7-5-16-23(28)34-19(15-6-8-31-13-15)12-25(16,2)21(24)20(26)18(11-17(24)22(27)30-4)33-14-32-10-9-29-3/h6,8,13,16-19,21H,5,7,9-12,14H2,1-4H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1	PDB 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	320	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem 16: 1279-86 (2008) Article DOI: 10.1016/j.bmc.2007.10.067 BindingDB Entry DOI: 10.7270/Q2ZK5HJF
					More data for this Ligand-Target Pair