BDBM13043 US8846929, 228

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

InChI Key: InChIKey=CBADTWWITBOIHR-JKHIJQBDSA-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 = 13043   

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))	BDBM13043 (US8846929, 228) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCN(CC(O)=O)CC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3| Show InChI InChI=1S/C29H41N5O5/c35-26(36)18-32(19-27(37)38)15-14-30-28-29(39)34(25-11-7-6-10-24(25)31-28)23-16-21-12-13-22(17-23)33(21)20-8-4-2-1-3-5-9-20/h6-7,10-11,20-23H,1-5,8-9,12-19H2,(H,30,31)(H,35,36)(H,37,38)/t21-,22+,23+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.40	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM13043 (US8846929, 228) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCN(CC(O)=O)CC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3| Show InChI InChI=1S/C29H41N5O5/c35-26(36)18-32(19-27(37)38)15-14-30-28-29(39)34(25-11-7-6-10-24(25)31-28)23-16-21-12-13-22(17-23)33(21)20-8-4-2-1-3-5-9-20/h6-7,10-11,20-23H,1-5,8-9,12-19H2,(H,30,31)(H,35,36)(H,37,38)/t21-,22+,23+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.08E+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 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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM13043 (US8846929, 228) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCN(CC(O)=O)CC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3| Show InChI InChI=1S/C29H41N5O5/c35-26(36)18-32(19-27(37)38)15-14-30-28-29(39)34(25-11-7-6-10-24(25)31-28)23-16-21-12-13-22(17-23)33(21)20-8-4-2-1-3-5-9-20/h6-7,10-11,20-23H,1-5,8-9,12-19H2,(H,30,31)(H,35,36)(H,37,38)/t21-,22+,23+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.32E+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 0.4-0.8nM [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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM13043 (US8846929, 228) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCN(CC(O)=O)CC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3| Show InChI InChI=1S/C29H41N5O5/c35-26(36)18-32(19-27(37)38)15-14-30-28-29(39)34(25-11-7-6-10-24(25)31-28)23-16-21-12-13-22(17-23)33(21)20-8-4-2-1-3-5-9-20/h6-7,10-11,20-23H,1-5,8-9,12-19H2,(H,30,31)(H,35,36)(H,37,38)/t21-,22+,23+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>2.00E+4	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