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SMILES: Clc1cc2OCOc2cc1COC(=O)NCCCn1c2ccccc2[nH]c1=O

InChI Key: InChIKey=JJXREGYWYMPRSA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50105071   

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))	BDBM50105071 (CHEMBL333843 | [3-(2-Oxo-2,3-dihydro-benzoimidazol...) Show SMILES Clc1cc2OCOc2cc1COC(=O)NCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C19H18ClN3O5/c20-13-9-17-16(27-11-28-17)8-12(13)10-26-19(25)21-6-3-7-23-15-5-2-1-4-14(15)22-18(23)24/h1-2,4-5,8-9H,3,6-7,10-11H2,(H,21,25)(H,22,24)	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105071 (CHEMBL333843 | [3-(2-Oxo-2,3-dihydro-benzoimidazol...) Show SMILES Clc1cc2OCOc2cc1COC(=O)NCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C19H18ClN3O5/c20-13-9-17-16(27-11-28-17)8-12(13)10-26-19(25)21-6-3-7-23-15-5-2-1-4-14(15)22-18(23)24/h1-2,4-5,8-9H,3,6-7,10-11H2,(H,21,25)(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.74E+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))	BDBM50105071 (CHEMBL333843 | [3-(2-Oxo-2,3-dihydro-benzoimidazol...) Show SMILES Clc1cc2OCOc2cc1COC(=O)NCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C19H18ClN3O5/c20-13-9-17-16(27-11-28-17)8-12(13)10-26-19(25)21-6-3-7-23-15-5-2-1-4-14(15)22-18(23)24/h1-2,4-5,8-9H,3,6-7,10-11H2,(H,21,25)(H,22,24)	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	2.48E+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))	BDBM50105071 (CHEMBL333843 | [3-(2-Oxo-2,3-dihydro-benzoimidazol...) Show SMILES Clc1cc2OCOc2cc1COC(=O)NCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C19H18ClN3O5/c20-13-9-17-16(27-11-28-17)8-12(13)10-26-19(25)21-6-3-7-23-15-5-2-1-4-14(15)22-18(23)24/h1-2,4-5,8-9H,3,6-7,10-11H2,(H,21,25)(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.74E+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))	BDBM50105071 (CHEMBL333843 | [3-(2-Oxo-2,3-dihydro-benzoimidazol...) Show SMILES Clc1cc2OCOc2cc1COC(=O)NCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C19H18ClN3O5/c20-13-9-17-16(27-11-28-17)8-12(13)10-26-19(25)21-6-3-7-23-15-5-2-1-4-14(15)22-18(23)24/h1-2,4-5,8-9H,3,6-7,10-11H2,(H,21,25)(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.33E+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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105071 (CHEMBL333843 | [3-(2-Oxo-2,3-dihydro-benzoimidazol...) Show SMILES Clc1cc2OCOc2cc1COC(=O)NCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C19H18ClN3O5/c20-13-9-17-16(27-11-28-17)8-12(13)10-26-19(25)21-6-3-7-23-15-5-2-1-4-14(15)22-18(23)24/h1-2,4-5,8-9H,3,6-7,10-11H2,(H,21,25)(H,22,24)	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	2.48E+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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50105071 (CHEMBL333843 | [3-(2-Oxo-2,3-dihydro-benzoimidazol...) Show SMILES Clc1cc2OCOc2cc1COC(=O)NCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C19H18ClN3O5/c20-13-9-17-16(27-11-28-17)8-12(13)10-26-19(25)21-6-3-7-23-15-5-2-1-4-14(15)22-18(23)24/h1-2,4-5,8-9H,3,6-7,10-11H2,(H,21,25)(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	344	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against A1 adenosine receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair