BDBM50105083 3-Carboxymethyl-4-oxo-1-phenyl-1,3,8-triaza-spiro[4.5]decane-8-carboxylic acid 6-chloro-benzo[1,3]dioxol-5-ylmethyl ester::CHEMBL111918

SMILES: OC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)OCc2cc3OCOc3cc2Cl)C1=O

InChI Key: InChIKey=WBXZCUHXTQVAEZ-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50105083   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50105083 (3-Carboxymethyl-4-oxo-1-phenyl-1,3,8-triaza-spiro[...) Show SMILES OC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)OCc2cc3OCOc3cc2Cl)C1=O Show InChI InChI=1S/C24H24ClN3O7/c25-18-11-20-19(34-15-35-20)10-16(18)13-33-23(32)26-8-6-24(7-9-26)22(31)27(12-21(29)30)14-28(24)17-4-2-1-3-5-17/h1-5,10-11H,6-9,12-15H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against delta-opiate receptor (human) using [3H]-DPDPE radioligand				J Med Chem 44: 3378-90 (2001) BindingDB Entry DOI: 10.7270/Q23X87B8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105083 (3-Carboxymethyl-4-oxo-1-phenyl-1,3,8-triaza-spiro[...) Show SMILES OC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)OCc2cc3OCOc3cc2Cl)C1=O Show InChI InChI=1S/C24H24ClN3O7/c25-18-11-20-19(34-15-35-20)10-16(18)13-33-23(32)26-8-6-24(7-9-26)22(31)27(12-21(29)30)14-28(24)17-4-2-1-3-5-17/h1-5,10-11H,6-9,12-15H2,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	735	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligand				J Med Chem 44: 3378-90 (2001) BindingDB Entry DOI: 10.7270/Q23X87B8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105083 (3-Carboxymethyl-4-oxo-1-phenyl-1,3,8-triaza-spiro[...) Show SMILES OC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)OCc2cc3OCOc3cc2Cl)C1=O Show InChI InChI=1S/C24H24ClN3O7/c25-18-11-20-19(34-15-35-20)10-16(18)13-33-23(32)26-8-6-24(7-9-26)22(31)27(12-21(29)30)14-28(24)17-4-2-1-3-5-17/h1-5,10-11H,6-9,12-15H2,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	735	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105083 (3-Carboxymethyl-4-oxo-1-phenyl-1,3,8-triaza-spiro[...) Show SMILES OC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)OCc2cc3OCOc3cc2Cl)C1=O Show InChI InChI=1S/C24H24ClN3O7/c25-18-11-20-19(34-15-35-20)10-16(18)13-33-23(32)26-8-6-24(7-9-26)22(31)27(12-21(29)30)14-28(24)17-4-2-1-3-5-17/h1-5,10-11H,6-9,12-15H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105083 (3-Carboxymethyl-4-oxo-1-phenyl-1,3,8-triaza-spiro[...) Show SMILES OC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)OCc2cc3OCOc3cc2Cl)C1=O Show InChI InChI=1S/C24H24ClN3O7/c25-18-11-20-19(34-15-35-20)10-16(18)13-33-23(32)26-8-6-24(7-9-26)22(31)27(12-21(29)30)14-28(24)17-4-2-1-3-5-17/h1-5,10-11H,6-9,12-15H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligand				J Med Chem 44: 3378-90 (2001) BindingDB Entry DOI: 10.7270/Q23X87B8
					More data for this Ligand-Target Pair