BDBM12256 US8846929, 120

SMILES: [H][C@]12CC[C@]([H])(C[C@@](C)(C1)n1c3ccccc3nc(C(=O)Nc3ccc(OC)nc3)c1=O)N2C1CCCCCCC1

InChI Key: InChIKey=KYASHZYLJWGTDL-NGBRXVAQSA-N

Data: 4 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 4 hits for monomerid = 12256   

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
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM12256 (US8846929, 120) Show SMILES [H][C@]12CC[C@]([H])(C[C@@](C)(C1)n1c3ccccc3nc(C(=O)Nc3ccc(OC)nc3)c1=O)N2C1CCCCCCC1 |r,TLB:8:7:32:2.3,10:7:32:2.3| Show InChI InChI=1S/C31H39N5O3/c1-31(18-23-15-16-24(19-31)35(23)22-10-6-4-3-5-7-11-22)36-26-13-9-8-12-25(26)34-28(30(36)38)29(37)33-21-14-17-27(39-2)32-20-21/h8-9,12-14,17,20,22-24H,3-7,10-11,15-16,18-19H2,1-2H3,(H,33,37)/t23-,24+,31+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.10	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM12256 (US8846929, 120) Show SMILES [H][C@]12CC[C@]([H])(C[C@@](C)(C1)n1c3ccccc3nc(C(=O)Nc3ccc(OC)nc3)c1=O)N2C1CCCCCCC1 |r,TLB:8:7:32:2.3,10:7:32:2.3| Show InChI InChI=1S/C31H39N5O3/c1-31(18-23-15-16-24(19-31)35(23)22-10-6-4-3-5-7-11-22)36-26-13-9-8-12-25(26)34-28(30(36)38)29(37)33-21-14-17-27(39-2)32-20-21/h8-9,12-14,17,20,22-24H,3-7,10-11,15-16,18-19H2,1-2H3,(H,33,37)/t23-,24+,31+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	55.8	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand dose displacement assays used 0.4-0.8nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 ug membrane protein (recombinant kappa opioid receptor...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM12256 (US8846929, 120) Show SMILES [H][C@]12CC[C@]([H])(C[C@@](C)(C1)n1c3ccccc3nc(C(=O)Nc3ccc(OC)nc3)c1=O)N2C1CCCCCCC1 |r,TLB:8:7:32:2.3,10:7:32:2.3| Show InChI InChI=1S/C31H39N5O3/c1-31(18-23-15-16-24(19-31)35(23)22-10-6-4-3-5-7-11-22)36-26-13-9-8-12-25(26)34-28(30(36)38)29(37)33-21-14-17-27(39-2)32-20-21/h8-9,12-14,17,20,22-24H,3-7,10-11,15-16,18-19H2,1-2H3,(H,33,37)/t23-,24+,31+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	210	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand dose-displacement binding assays for u-opioid receptors used 0.2nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20mg membrane protein/w...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM12256 (US8846929, 120) Show SMILES [H][C@]12CC[C@]([H])(C[C@@](C)(C1)n1c3ccccc3nc(C(=O)Nc3ccc(OC)nc3)c1=O)N2C1CCCCCCC1 |r,TLB:8:7:32:2.3,10:7:32:2.3| Show InChI InChI=1S/C31H39N5O3/c1-31(18-23-15-16-24(19-31)35(23)22-10-6-4-3-5-7-11-22)36-26-13-9-8-12-25(26)34-28(30(36)38)29(37)33-21-14-17-27(39-2)32-20-21/h8-9,12-14,17,20,22-24H,3-7,10-11,15-16,18-19H2,1-2H3,(H,33,37)/t23-,24+,31+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand dose-displacement assays used 0.2nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20ug membrane protein (recombinant delta opioid recepto...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair