BDBM50123601 CHEMBL3622717

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

InChI Key: InChIKey=WWRIVEXNBFLAKY-XDOJKHARSA-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 = 50123601   

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))	BDBM50123601 (CHEMBL3622717) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CCOCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C27H37IO8/c1-25-7-5-18-24(31)36-20(17-6-10-35-15-17)14-26(18,2)21(25)22(29)27(16-32-3,8-11-34-12-9-28)13-19(25)23(30)33-4/h6,10,15,18-21H,5,7-9,11-14,16H2,1-4H3/t18-,19-,20-,21-,25-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	108	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
Delta-type opioid receptor (MOUSE)	BDBM50123601 (CHEMBL3622717) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CCOCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C27H37IO8/c1-25-7-5-18-24(31)36-20(17-6-10-35-15-17)14-26(18,2)21(25)22(29)27(16-32-3,8-11-34-12-9-28)13-19(25)23(30)33-4/h6,10,15,18-21H,5,7-9,11-14,16H2,1-4H3/t18-,19-,20-,21-,25-,26-,27+/m0/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))	BDBM50123601 (CHEMBL3622717) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CCOCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C27H37IO8/c1-25-7-5-18-24(31)36-20(17-6-10-35-15-17)14-26(18,2)21(25)22(29)27(16-32-3,8-11-34-12-9-28)13-19(25)23(30)33-4/h6,10,15,18-21H,5,7-9,11-14,16H2,1-4H3/t18-,19-,20-,21-,25-,26-,27+/m0/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