BDBM147192 US8957084, 5

SMILES: COc1ccc2C[C@@H]3[C@@H]4[C@H]5C6CCC(CC6)[C@H]5C(=O)C[C@]4(CCN3CC3CC3)c2c1

InChI Key: InChIKey=VSZGBVVCRRDGRK-MMQBDCAJSA-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 = 147192   

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))	BDBM147192 (US8957084, 5) Show SMILES COc1ccc2C[C@@H]3[C@@H]4[C@H]5C6CCC(CC6)[C@H]5C(=O)C[C@]4(CCN3CC3CC3)c2c1 |r,wU:16.18,9.17,7.26,wD:20.32,8.22,TLB:24:23:6.5.28:8,(-5.77,-5.44,;-4.23,-5.44,;-3.46,-4.1,;-4.23,-2.77,;-3.46,-1.44,;-1.92,-1.44,;-1.15,-.1,;.39,-.1,;1.16,-1.44,;2.7,-1.44,;3.47,-.1,;5.01,-.1,;5.77,-1.44,;5.01,-2.77,;5.01,-1.71,;4.56,-.63,;3.47,-2.77,;2.7,-4.1,;3.47,-5.44,;1.16,-4.1,;.39,-2.77,;-.38,-1.44,;-.38,1.23,;1.16,1.23,;1.93,2.56,;1.16,3.9,;1.16,5.44,;-.18,4.67,;-1.15,-2.77,;-1.92,-4.1,)| Show InChI InChI=1S/C27H35NO2/c1-30-20-9-8-19-12-22-26-25-18-6-4-17(5-7-18)24(25)23(29)14-27(26,21(19)13-20)10-11-28(22)15-16-2-3-16/h8-9,13,16-18,22,24-26H,2-7,10-12,14-15H2,1H3/t17?,18?,22-,24+,25+,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	126	-9.41	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))	BDBM147192 (US8957084, 5) Show SMILES COc1ccc2C[C@@H]3[C@@H]4[C@H]5C6CCC(CC6)[C@H]5C(=O)C[C@]4(CCN3CC3CC3)c2c1 |r,wU:16.18,9.17,7.26,wD:20.32,8.22,TLB:24:23:6.5.28:8,(-5.77,-5.44,;-4.23,-5.44,;-3.46,-4.1,;-4.23,-2.77,;-3.46,-1.44,;-1.92,-1.44,;-1.15,-.1,;.39,-.1,;1.16,-1.44,;2.7,-1.44,;3.47,-.1,;5.01,-.1,;5.77,-1.44,;5.01,-2.77,;5.01,-1.71,;4.56,-.63,;3.47,-2.77,;2.7,-4.1,;3.47,-5.44,;1.16,-4.1,;.39,-2.77,;-.38,-1.44,;-.38,1.23,;1.16,1.23,;1.93,2.56,;1.16,3.9,;1.16,5.44,;-.18,4.67,;-1.15,-2.77,;-1.92,-4.1,)| Show InChI InChI=1S/C27H35NO2/c1-30-20-9-8-19-12-22-26-25-18-6-4-17(5-7-18)24(25)23(29)14-27(26,21(19)13-20)10-11-28(22)15-16-2-3-16/h8-9,13,16-18,22,24-26H,2-7,10-12,14-15H2,1H3/t17?,18?,22-,24+,25+,26-,27-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	242	-9.78	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