BDBM50140735 (3aR,7aR)-1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-octahydro-benzoimidazol-2-one::CHEMBL286411

SMILES: CC(C)C1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O

InChI Key: InChIKey=UBTRYWQKIWBIDS-OTGCGEFBSA-N

Data: 4 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 4 hits for monomerid = 50140735   

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
Nociceptin receptor (Homo sapiens (Human))	BDBM50140735 ((3aR,7aR)-1-[1-(4-Isopropyl-cyclohexyl)-piperidin-...) Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O |wU:21.24,wD:16.17,(-2.39,-9.62,;-1.32,-8.52,;.17,-8.9,;-1.72,-7.04,;-.64,-5.94,;-1.06,-4.43,;-2.56,-4.06,;-3.65,-5.17,;-3.23,-6.66,;-2.98,-2.57,;-1.9,-1.49,;-2.32,-.01,;-3.79,.39,;-4.88,-.71,;-4.47,-2.17,;-4.21,1.86,;-5.66,2.34,;-6.98,1.58,;-8.33,2.34,;-8.33,3.88,;-6.98,4.65,;-5.66,3.88,;-4.21,4.35,;-3.3,3.1,;-1.76,3.09,)| Show InChI InChI=1S/C21H37N3O/c1-15(2)16-7-9-17(10-8-16)23-13-11-18(12-14-23)24-20-6-4-3-5-19(20)22-21(24)25/h15-20H,3-14H2,1-2H3,(H,22,25)/t16?,17?,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay				Bioorg Med Chem Lett 14: 1347-51 (2004) Article DOI: 10.1016/j.bmcl.2003.11.083 BindingDB Entry DOI: 10.7270/Q2QJ7HW5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50140735 ((3aR,7aR)-1-[1-(4-Isopropyl-cyclohexyl)-piperidin-...) Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O |wU:21.24,wD:16.17,(-2.39,-9.62,;-1.32,-8.52,;.17,-8.9,;-1.72,-7.04,;-.64,-5.94,;-1.06,-4.43,;-2.56,-4.06,;-3.65,-5.17,;-3.23,-6.66,;-2.98,-2.57,;-1.9,-1.49,;-2.32,-.01,;-3.79,.39,;-4.88,-.71,;-4.47,-2.17,;-4.21,1.86,;-5.66,2.34,;-6.98,1.58,;-8.33,2.34,;-8.33,3.88,;-6.98,4.65,;-5.66,3.88,;-4.21,4.35,;-3.3,3.1,;-1.76,3.09,)| Show InChI InChI=1S/C21H37N3O/c1-15(2)16-7-9-17(10-8-16)23-13-11-18(12-14-23)24-20-6-4-3-5-19(20)22-21(24)25/h15-20H,3-14H2,1-2H3,(H,22,25)/t16?,17?,19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	959	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells				Bioorg Med Chem Lett 14: 1347-51 (2004) Article DOI: 10.1016/j.bmcl.2003.11.083 BindingDB Entry DOI: 10.7270/Q2QJ7HW5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50140735 ((3aR,7aR)-1-[1-(4-Isopropyl-cyclohexyl)-piperidin-...) Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O |wU:21.24,wD:16.17,(-2.39,-9.62,;-1.32,-8.52,;.17,-8.9,;-1.72,-7.04,;-.64,-5.94,;-1.06,-4.43,;-2.56,-4.06,;-3.65,-5.17,;-3.23,-6.66,;-2.98,-2.57,;-1.9,-1.49,;-2.32,-.01,;-3.79,.39,;-4.88,-.71,;-4.47,-2.17,;-4.21,1.86,;-5.66,2.34,;-6.98,1.58,;-8.33,2.34,;-8.33,3.88,;-6.98,4.65,;-5.66,3.88,;-4.21,4.35,;-3.3,3.1,;-1.76,3.09,)| Show InChI InChI=1S/C21H37N3O/c1-15(2)16-7-9-17(10-8-16)23-13-11-18(12-14-23)24-20-6-4-3-5-19(20)22-21(24)25/h15-20H,3-14H2,1-2H3,(H,22,25)/t16?,17?,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Tested for the opioid receptor kappa 1 binding affinity using membrane preparations from recombinant HEK293 cells with [3H]U-69593 radioligand				Bioorg Med Chem Lett 14: 1347-51 (2004) Article DOI: 10.1016/j.bmcl.2003.11.083 BindingDB Entry DOI: 10.7270/Q2QJ7HW5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50140735 ((3aR,7aR)-1-[1-(4-Isopropyl-cyclohexyl)-piperidin-...) Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O |wU:21.24,wD:16.17,(-2.39,-9.62,;-1.32,-8.52,;.17,-8.9,;-1.72,-7.04,;-.64,-5.94,;-1.06,-4.43,;-2.56,-4.06,;-3.65,-5.17,;-3.23,-6.66,;-2.98,-2.57,;-1.9,-1.49,;-2.32,-.01,;-3.79,.39,;-4.88,-.71,;-4.47,-2.17,;-4.21,1.86,;-5.66,2.34,;-6.98,1.58,;-8.33,2.34,;-8.33,3.88,;-6.98,4.65,;-5.66,3.88,;-4.21,4.35,;-3.3,3.1,;-1.76,3.09,)| Show InChI InChI=1S/C21H37N3O/c1-15(2)16-7-9-17(10-8-16)23-13-11-18(12-14-23)24-20-6-4-3-5-19(20)22-21(24)25/h15-20H,3-14H2,1-2H3,(H,22,25)/t16?,17?,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Tested for the opioid receptor delta 1 binding affinity using membrane preparations from recombinant HEK293 cells with [3H]naltrindole radioligand				Bioorg Med Chem Lett 14: 1347-51 (2004) Article DOI: 10.1016/j.bmcl.2003.11.083 BindingDB Entry DOI: 10.7270/Q2QJ7HW5
					More data for this Ligand-Target Pair