null

SMILES: OC(CCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1

InChI Key: InChIKey=JLNADPKEMQECCB-VJEXPMICSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50313229   

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))	BDBM50313229 ((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(6-{[(1R,9R,1...) Show SMILES OC(CCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:23:22:14:28.11.12| Show InChI InChI=1S/C48H68N2O4/c51-37(31-53-39-17-13-35-25-45-41-11-1-3-19-47(41,43(35)27-39)21-23-49(45)29-33-7-5-8-33)15-16-38(52)32-54-40-18-14-36-26-46-42-12-2-4-20-48(42,44(36)28-40)22-24-50(46)30-34-9-6-10-34/h13-14,17-18,27-28,33-34,37-38,41-42,45-46,51-52H,1-12,15-16,19-26,29-32H2/t37?,38?,41-,42-,45+,46+,47+,48+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 1507-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.101 BindingDB Entry DOI: 10.7270/Q2251JBF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50313229 ((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(6-{[(1R,9R,1...) Show SMILES OC(CCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:23:22:14:28.11.12| Show InChI InChI=1S/C48H68N2O4/c51-37(31-53-39-17-13-35-25-45-41-11-1-3-19-47(41,43(35)27-39)21-23-49(45)29-33-7-5-8-33)15-16-38(52)32-54-40-18-14-36-26-46-42-12-2-4-20-48(42,44(36)28-40)22-24-50(46)30-34-9-6-10-34/h13-14,17-18,27-28,33-34,37-38,41-42,45-46,51-52H,1-12,15-16,19-26,29-32H2/t37?,38?,41-,42-,45+,46+,47+,48+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 1507-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.101 BindingDB Entry DOI: 10.7270/Q2251JBF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50313229 ((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(6-{[(1R,9R,1...) Show SMILES OC(CCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:23:22:14:28.11.12| Show InChI InChI=1S/C48H68N2O4/c51-37(31-53-39-17-13-35-25-45-41-11-1-3-19-47(41,43(35)27-39)21-23-49(45)29-33-7-5-8-33)15-16-38(52)32-54-40-18-14-36-26-46-42-12-2-4-20-48(42,44(36)28-40)22-24-50(46)30-34-9-6-10-34/h13-14,17-18,27-28,33-34,37-38,41-42,45-46,51-52H,1-12,15-16,19-26,29-32H2/t37?,38?,41-,42-,45+,46+,47+,48+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	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]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting				Bioorg Med Chem Lett 20: 1507-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.101 BindingDB Entry DOI: 10.7270/Q2251JBF
					More data for this Ligand-Target Pair