BDBM50135807 CHEMBL346885::di[17-cyclobutylmethyl-(10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl] pentanedioate

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

InChI Key: InChIKey=JVXOOVJIDALVNR-IVZGDYKBSA-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 = 50135807   

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))	BDBM50135807 (CHEMBL346885 | di[17-cyclobutylmethyl-(10R)-17-aza...) Show SMILES O=C(CCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C47H62N2O4/c50-44(52-36-18-16-34-26-42-38-12-1-3-20-46(38,40(34)28-36)22-24-48(42)30-32-8-5-9-32)14-7-15-45(51)53-37-19-17-35-27-43-39-13-2-4-21-47(39,41(35)29-37)23-25-49(43)31-33-10-6-11-33/h16-19,28-29,32-33,38-39,42-43H,1-15,20-27,30-31H2/t38-,39-,42+,43+,46+,47+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50135807 (CHEMBL346885 | di[17-cyclobutylmethyl-(10R)-17-aza...) Show SMILES O=C(CCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C47H62N2O4/c50-44(52-36-18-16-34-26-42-38-12-1-3-20-46(38,40(34)28-36)22-24-48(42)30-32-8-5-9-32)14-7-15-45(51)53-37-19-17-35-27-43-39-13-2-4-21-47(39,41(35)29-37)23-25-49(43)31-33-10-6-11-33/h16-19,28-29,32-33,38-39,42-43H,1-15,20-27,30-31H2/t38-,39-,42+,43+,46+,47+/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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50135807 (CHEMBL346885 | di[17-cyclobutylmethyl-(10R)-17-aza...) Show SMILES O=C(CCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C47H62N2O4/c50-44(52-36-18-16-34-26-42-38-12-1-3-20-46(38,40(34)28-36)22-24-48(42)30-32-8-5-9-32)14-7-15-45(51)53-37-19-17-35-27-43-39-13-2-4-21-47(39,41(35)29-37)23-25-49(43)31-33-10-6-11-33/h16-19,28-29,32-33,38-39,42-43H,1-15,20-27,30-31H2/t38-,39-,42+,43+,46+,47+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	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