BDBM50083227 1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one::CHEMBL146054

SMILES: CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl

InChI Key: InChIKey=ICPHYGRATJRGHH-UHFFFAOYSA-N

Data: 5 IC50  3 EC50

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 8 hits for monomerid = 50083227   

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))	BDBM50083227 (1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1...) Show SMILES CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3O/c1-14(16-6-2-3-7-17(16)21)23-12-10-15(11-13-23)24-19-9-5-4-8-18(19)22-20(24)25/h2-9,14-15H,10-13H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound in CHO cells stably expressing cloned human Opioid receptor delta 1 by displacing radioligand [3H][D-Ala2,D-Leu5]enk...				J Med Chem 42: 5061-3 (2000) BindingDB Entry DOI: 10.7270/Q2MC8Z69
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50083227 (1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1...) Show SMILES CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3O/c1-14(16-6-2-3-7-17(16)21)23-12-10-15(11-13-23)24-19-9-5-4-8-18(19)22-20(24)25/h2-9,14-15H,10-13H2,1H3,(H,22,25)	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
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonistic activity against nociceptin produced [35S]GTP-gamma-S, binding to Opioid receptor like 1 expressed in CHO cells				J Med Chem 42: 5061-3 (2000) BindingDB Entry DOI: 10.7270/Q2MC8Z69
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50083227 (1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1...) Show SMILES CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3O/c1-14(16-6-2-3-7-17(16)21)23-12-10-15(11-13-23)24-19-9-5-4-8-18(19)22-20(24)25/h2-9,14-15H,10-13H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity of the compound against nociceptin produced GTPgammaS binding to Opioid receptor like 1 expressed in CHO cells				J Med Chem 42: 5061-3 (2000) BindingDB Entry DOI: 10.7270/Q2MC8Z69
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50083227 (1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1...) Show SMILES CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3O/c1-14(16-6-2-3-7-17(16)21)23-12-10-15(11-13-23)24-19-9-5-4-8-18(19)22-20(24)25/h2-9,14-15H,10-13H2,1H3,(H,22,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	199	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in human USOS-beta-arrestin-hMOR-PathHunter cells incubated for 90 mins by beta-arrestin-2 enz...				J Med Chem 61: 8895-8907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01136 BindingDB Entry DOI: 10.7270/Q2862K2V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50083227 (1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1...) Show SMILES CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3O/c1-14(16-6-2-3-7-17(16)21)23-12-10-15(11-13-23)24-19-9-5-4-8-18(19)22-20(24)25/h2-9,14-15H,10-13H2,1H3,(H,22,25)	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	43	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity in CHO cells stably expressing cloned human Opioid receptor mu 1 by displacing diprenorphine				J Med Chem 42: 5061-3 (2000) BindingDB Entry DOI: 10.7270/Q2MC8Z69
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50083227 (1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1...) Show SMILES CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3O/c1-14(16-6-2-3-7-17(16)21)23-12-10-15(11-13-23)24-19-9-5-4-8-18(19)22-20(24)25/h2-9,14-15H,10-13H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound in CHO cells stably expressing cloned human Opioid receptor kappa 1 by displacing radioligand [3H]-U-69,593				J Med Chem 42: 5061-3 (2000) BindingDB Entry DOI: 10.7270/Q2MC8Z69
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50083227 (1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1...) Show SMILES CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3O/c1-14(16-6-2-3-7-17(16)21)23-12-10-15(11-13-23)24-19-9-5-4-8-18(19)22-20(24)25/h2-9,14-15H,10-13H2,1H3,(H,22,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by ...				J Med Chem 61: 8895-8907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01136 BindingDB Entry DOI: 10.7270/Q2862K2V
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50083227 (1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1...) Show SMILES CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3O/c1-14(16-6-2-3-7-17(16)21)23-12-10-15(11-13-23)24-19-9-5-4-8-18(19)22-20(24)25/h2-9,14-15H,10-13H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound in CHO cells stably expressing cloned human Opioid receptor like 1 by displacing radioligand [125I]-Tyr14-nociceptin				J Med Chem 42: 5061-3 (2000) BindingDB Entry DOI: 10.7270/Q2MC8Z69
					More data for this Ligand-Target Pair