null

SMILES: Clc1cc2OCOc2cc1COC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1

InChI Key: InChIKey=ZPHNPDOWNMOBPA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50105099   

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))	BDBM50105099 (4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]decane-8-car...) Show SMILES Clc1cc2OCOc2cc1COC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C22H22ClN3O5/c23-17-11-19-18(30-14-31-19)10-15(17)12-29-21(28)25-8-6-22(7-9-25)20(27)24-13-26(22)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,24,27)	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))	BDBM50105099 (4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]decane-8-car...) Show SMILES Clc1cc2OCOc2cc1COC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C22H22ClN3O5/c23-17-11-19-18(30-14-31-19)10-15(17)12-29-21(28)25-8-6-22(7-9-25)20(27)24-13-26(22)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,24,27)	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	1.73E+3	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105099 (4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]decane-8-car...) Show SMILES Clc1cc2OCOc2cc1COC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C22H22ClN3O5/c23-17-11-19-18(30-14-31-19)10-15(17)12-29-21(28)25-8-6-22(7-9-25)20(27)24-13-26(22)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.15E+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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105099 (4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]decane-8-car...) Show SMILES Clc1cc2OCOc2cc1COC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C22H22ClN3O5/c23-17-11-19-18(30-14-31-19)10-15(17)12-29-21(28)25-8-6-22(7-9-25)20(27)24-13-26(22)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,24,27)	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	1.73E+3	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
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50105099 (4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]decane-8-car...) Show SMILES Clc1cc2OCOc2cc1COC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C22H22ClN3O5/c23-17-11-19-18(30-14-31-19)10-15(17)12-29-21(28)25-8-6-22(7-9-25)20(27)24-13-26(22)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human V1A vasopressin 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))	BDBM50105099 (4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]decane-8-car...) Show SMILES Clc1cc2OCOc2cc1COC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C22H22ClN3O5/c23-17-11-19-18(30-14-31-19)10-15(17)12-29-21(28)25-8-6-22(7-9-25)20(27)24-13-26(22)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.15E+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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50105099 (4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]decane-8-car...) Show SMILES Clc1cc2OCOc2cc1COC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C22H22ClN3O5/c23-17-11-19-18(30-14-31-19)10-15(17)12-29-21(28)25-8-6-22(7-9-25)20(27)24-13-26(22)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,24,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human adenosine A3 receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50105099 (4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]decane-8-car...) Show SMILES Clc1cc2OCOc2cc1COC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C22H22ClN3O5/c23-17-11-19-18(30-14-31-19)10-15(17)12-29-21(28)25-8-6-22(7-9-25)20(27)24-13-26(22)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,24,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human 5-hydroxytryptamine 2C receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair