BDBM50087689 8-(4-Isopropyl-cyclohexyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one::CHEMBL168578

SMILES: CC(C)[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1

InChI Key: InChIKey=AYIPPDCLGFAXBJ-WGSAOQKQSA-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 = 50087689   

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/Orphanin FQ, NOP receptor (RAT)	BDBM50087689 (8-(4-Isopropyl-cyclohexyl)-1-phenyl-1,3,8-triaza-s...) Show SMILES CC(C)[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,wD:3.2,(2.69,-2.68,;3.46,-4.01,;2.69,-5.35,;5,-4.02,;5.77,-5.35,;7.31,-5.35,;8.06,-4.02,;7.31,-2.69,;5.77,-2.69,;9.6,-4.02,;10.37,-2.68,;11.91,-2.67,;12.68,-4.01,;11.91,-5.34,;10.37,-5.34,;13.56,-5.26,;15.03,-4.79,;15.03,-3.25,;13.59,-2.76,;13.1,-1.31,;13.1,-6.7,;11.58,-7.03,;11.11,-8.49,;12.14,-9.64,;13.66,-9.32,;14.12,-7.85,)| Show InChI InChI=1S/C22H33N3O/c1-17(2)18-8-10-19(11-9-18)24-14-12-22(13-15-24)21(26)23-16-25(22)20-6-4-3-5-7-20/h3-7,17-19H,8-16H2,1-2H3,(H,23,26)/t18-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1				Bioorg Med Chem Lett 10: 831-4 (2000) BindingDB Entry DOI: 10.7270/Q2N29XG2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50087689 (8-(4-Isopropyl-cyclohexyl)-1-phenyl-1,3,8-triaza-s...) Show SMILES CC(C)[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,wD:3.2,(2.69,-2.68,;3.46,-4.01,;2.69,-5.35,;5,-4.02,;5.77,-5.35,;7.31,-5.35,;8.06,-4.02,;7.31,-2.69,;5.77,-2.69,;9.6,-4.02,;10.37,-2.68,;11.91,-2.67,;12.68,-4.01,;11.91,-5.34,;10.37,-5.34,;13.56,-5.26,;15.03,-4.79,;15.03,-3.25,;13.59,-2.76,;13.1,-1.31,;13.1,-6.7,;11.58,-7.03,;11.11,-8.49,;12.14,-9.64,;13.66,-9.32,;14.12,-7.85,)| Show InChI InChI=1S/C22H33N3O/c1-17(2)18-8-10-19(11-9-18)24-14-12-22(13-15-24)21(26)23-16-25(22)20-6-4-3-5-7-20/h3-7,17-19H,8-16H2,1-2H3,(H,23,26)/t18-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...				Bioorg Med Chem Lett 10: 831-4 (2000) BindingDB Entry DOI: 10.7270/Q2N29XG2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50087689 (8-(4-Isopropyl-cyclohexyl)-1-phenyl-1,3,8-triaza-s...) Show SMILES CC(C)[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,wD:3.2,(2.69,-2.68,;3.46,-4.01,;2.69,-5.35,;5,-4.02,;5.77,-5.35,;7.31,-5.35,;8.06,-4.02,;7.31,-2.69,;5.77,-2.69,;9.6,-4.02,;10.37,-2.68,;11.91,-2.67,;12.68,-4.01,;11.91,-5.34,;10.37,-5.34,;13.56,-5.26,;15.03,-4.79,;15.03,-3.25,;13.59,-2.76,;13.1,-1.31,;13.1,-6.7,;11.58,-7.03,;11.11,-8.49,;12.14,-9.64,;13.66,-9.32,;14.12,-7.85,)| Show InChI InChI=1S/C22H33N3O/c1-17(2)18-8-10-19(11-9-18)24-14-12-22(13-15-24)21(26)23-16-25(22)20-6-4-3-5-7-20/h3-7,17-19H,8-16H2,1-2H3,(H,23,26)/t18-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...				Bioorg Med Chem Lett 10: 831-4 (2000) BindingDB Entry DOI: 10.7270/Q2N29XG2
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50087689 (8-(4-Isopropyl-cyclohexyl)-1-phenyl-1,3,8-triaza-s...) Show SMILES CC(C)[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,wD:3.2,(2.69,-2.68,;3.46,-4.01,;2.69,-5.35,;5,-4.02,;5.77,-5.35,;7.31,-5.35,;8.06,-4.02,;7.31,-2.69,;5.77,-2.69,;9.6,-4.02,;10.37,-2.68,;11.91,-2.67,;12.68,-4.01,;11.91,-5.34,;10.37,-5.34,;13.56,-5.26,;15.03,-4.79,;15.03,-3.25,;13.59,-2.76,;13.1,-1.31,;13.1,-6.7,;11.58,-7.03,;11.11,-8.49,;12.14,-9.64,;13.66,-9.32,;14.12,-7.85,)| Show InChI InChI=1S/C22H33N3O/c1-17(2)18-8-10-19(11-9-18)24-14-12-22(13-15-24)21(26)23-16-25(22)20-6-4-3-5-7-20/h3-7,17-19H,8-16H2,1-2H3,(H,23,26)/t18-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition against binding of radioligand [Ile5,6-3H]-deltorphin to membrane from baby hamster kidney cells infected with forest virus encoding the ...				Bioorg Med Chem Lett 10: 831-4 (2000) BindingDB Entry DOI: 10.7270/Q2N29XG2
					More data for this Ligand-Target Pair