BDBM50135809 CHEMBL150061::MCL-143::di[17-cyclobutylmethyl-(9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl](1R,2S)-cyclopropane-1,2-dicarboxylate

SMILES: O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)[C@H]1C[C@H]1C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1

InChI Key: InChIKey=HFWQBUNFQOLPEO-JBILHQSLSA-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 = 50135809   

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))	BDBM50135809 (CHEMBL150061 | MCL-143 | di[17-cyclobutylmethyl-(9...) Show SMILES O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)[C@H]1C[C@H]1C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C47H60N2O4/c50-44(52-34-15-13-32-23-42-38-11-1-3-17-46(38,40(32)25-34)19-21-48(42)28-30-7-5-8-30)36-27-37(36)45(51)53-35-16-14-33-24-43-39-12-2-4-18-47(39,41(33)26-35)20-22-49(43)29-31-9-6-10-31/h13-16,25-26,30-31,36-39,42-43H,1-12,17-24,27-29H2/t36-,37+,38-,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	0.170	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))	BDBM50135809 (CHEMBL150061 | MCL-143 | di[17-cyclobutylmethyl-(9...) Show SMILES O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)[C@H]1C[C@H]1C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C47H60N2O4/c50-44(52-34-15-13-32-23-42-38-11-1-3-17-46(38,40(32)25-34)19-21-48(42)28-30-7-5-8-30)36-27-37(36)45(51)53-35-16-14-33-24-43-39-12-2-4-18-47(39,41(33)26-35)20-22-49(43)29-31-9-6-10-31/h13-16,25-26,30-31,36-39,42-43H,1-12,17-24,27-29H2/t36-,37+,38-,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	0.280	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))	BDBM50135809 (CHEMBL150061 | MCL-143 | di[17-cyclobutylmethyl-(9...) Show SMILES O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)[C@H]1C[C@H]1C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C47H60N2O4/c50-44(52-34-15-13-32-23-42-38-11-1-3-17-46(38,40(32)25-34)19-21-48(42)28-30-7-5-8-30)36-27-37(36)45(51)53-35-16-14-33-24-43-39-12-2-4-18-47(39,41(33)26-35)20-22-49(43)29-31-9-6-10-31/h13-16,25-26,30-31,36-39,42-43H,1-12,17-24,27-29H2/t36-,37+,38-,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	16	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