BDBM50135795 CHEMBL435084::di[17-cyclobutylmethyl-(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl] isophtalate

SMILES: O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1cccc(c1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1

InChI Key: InChIKey=ZCPLENVQYVAAFE-UBHOSDFBSA-N

Data: 3 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 3 hits for monomerid = 50135795   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50135795 (CHEMBL435084 | di[17-cyclobutylmethyl-(1R,9R,10R)-...) Show SMILES O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1cccc(c1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C50H60N2O4/c53-47(55-39-18-16-35-27-45-41-14-1-3-20-49(41,43(35)29-39)22-24-51(45)31-33-8-5-9-33)37-12-7-13-38(26-37)48(54)56-40-19-17-36-28-46-42-15-2-4-21-50(42,44(36)30-40)23-25-52(46)32-34-10-6-11-34/h7,12-13,16-19,26,29-30,33-34,41-42,45-46H,1-6,8-11,14-15,20-25,27-28,31-32H2/t41-,42-,45+,46+,49+,50+/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	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cells membranes was determined using [3H]-DAMGO radioligand				J Med Chem 46: 5162-70 (2003) Article DOI: 10.1021/jm030139v BindingDB Entry DOI: 10.7270/Q2GX4C9C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50135795 (CHEMBL435084 | di[17-cyclobutylmethyl-(1R,9R,10R)-...) Show SMILES O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1cccc(c1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C50H60N2O4/c53-47(55-39-18-16-35-27-45-41-14-1-3-20-49(41,43(35)29-39)22-24-51(45)31-33-8-5-9-33)37-12-7-13-38(26-37)48(54)56-40-19-17-36-28-46-42-15-2-4-21-50(42,44(36)30-40)23-25-52(46)32-34-10-6-11-34/h7,12-13,16-19,26,29-30,33-34,41-42,45-46H,1-6,8-11,14-15,20-25,27-28,31-32H2/t41-,42-,45+,46+,49+,50+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand				J Med Chem 46: 5162-70 (2003) Article DOI: 10.1021/jm030139v BindingDB Entry DOI: 10.7270/Q2GX4C9C
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50135795 (CHEMBL435084 | di[17-cyclobutylmethyl-(1R,9R,10R)-...) Show SMILES O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1cccc(c1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C50H60N2O4/c53-47(55-39-18-16-35-27-45-41-14-1-3-20-49(41,43(35)29-39)22-24-51(45)31-33-8-5-9-33)37-12-7-13-38(26-37)48(54)56-40-19-17-36-28-46-42-15-2-4-21-50(42,44(36)30-40)23-25-52(46)32-34-10-6-11-34/h7,12-13,16-19,26,29-30,33-34,41-42,45-46H,1-6,8-11,14-15,20-25,27-28,31-32H2/t41-,42-,45+,46+,49+,50+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Opioid receptor delta 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]naltrindole radioligand				J Med Chem 46: 5162-70 (2003) Article DOI: 10.1021/jm030139v BindingDB Entry DOI: 10.7270/Q2GX4C9C
					More data for this Ligand-Target Pair