BDBM147190 US8957084, 3

SMILES: COc1ccc2C[C@@H]3C4C5CC5C(CC4(CCN3CC3CC3)c2c1)OCC=C

InChI Key: InChIKey=DWWVNUGFQAVYBZ-HDIRRYFHSA-N

Data: 2 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 2 hits for monomerid = 147190   

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))	BDBM147190 (US8957084, 3) Show SMILES COc1ccc2C[C@@H]3C4C5CC5C(CC4(CCN3CC3CC3)c2c1)OCC=C |r,TLB:18:17:6.5.22:8| Show InChI InChI=1S/C25H33NO2/c1-3-10-28-23-14-25-8-9-26(15-16-4-5-16)22(24(25)20-13-19(20)23)11-17-6-7-18(27-2)12-21(17)25/h3,6-7,12,16,19-20,22-24H,1,4-5,8-11,13-15H2,2H3/t19?,20?,22-,23?,24?,25?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.04	-11.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant...				US Patent US8957084 (2015) BindingDB Entry DOI: 10.7270/Q21Z433P
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM147190 (US8957084, 3) Show SMILES COc1ccc2C[C@@H]3C4C5CC5C(CC4(CCN3CC3CC3)c2c1)OCC=C |r,TLB:18:17:6.5.22:8| Show InChI InChI=1S/C25H33NO2/c1-3-10-28-23-14-25-8-9-26(15-16-4-5-16)22(24(25)20-13-19(20)23)11-17-6-7-18(27-2)12-21(17)25/h3,6-7,12,16,19-20,22-24H,1,4-5,8-11,13-15H2,2H3/t19?,20?,22-,23?,24?,25?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	30	-11.1	n/a	n/a	n/a	n/a	n/a	7.4	50
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane...				US Patent US8957084 (2015) BindingDB Entry DOI: 10.7270/Q21Z433P
					More data for this Ligand-Target Pair