BDBM50123592 CHEMBL3622708

SMILES: [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC

InChI Key: InChIKey=YJSPSLIZUIOLBQ-YHDXOSERSA-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 = 50123592   

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
Delta-type opioid receptor (MOUSE)	BDBM50123592 (CHEMBL3622708) Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C26H36O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h8,11,14,17-20H,6-7,9-10,12-13,15H2,1-5H3/t17-,18+,19+,20+,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 25: 4689-92 (2015) BindingDB Entry DOI: 10.7270/Q2NV9M2W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123592 (CHEMBL3622708) Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C26H36O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h8,11,14,17-20H,6-7,9-10,12-13,15H2,1-5H3/t17-,18+,19+,20+,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 25: 4689-92 (2015) BindingDB Entry DOI: 10.7270/Q2NV9M2W
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50123592 (CHEMBL3622708) Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C26H36O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h8,11,14,17-20H,6-7,9-10,12-13,15H2,1-5H3/t17-,18+,19+,20+,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 25: 4689-92 (2015) BindingDB Entry DOI: 10.7270/Q2NV9M2W
					More data for this Ligand-Target Pair