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SMILES: CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O

InChI Key: InChIKey=DJCHJXJTDJZMOI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50311489   

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))	BDBM50311489 (2-{3-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-2...) Show SMILES CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O |(3.05,-10.56,;1.51,-10.56,;.74,-11.9,;1.51,-13.23,;-.8,-11.9,;-1.57,-13.23,;-1.24,-14.73,;.1,-15.49,;.11,-17.04,;-1.23,-17.81,;-2.56,-17.04,;-2.56,-15.5,;-3.7,-14.48,;-5.03,-15.26,;-6.36,-14.5,;-7.69,-15.27,;-7.69,-16.81,;-6.35,-17.58,;-5.01,-16.8,;-9.02,-17.59,;-10.35,-16.82,;-11.68,-17.59,;-11.68,-19.13,;-10.35,-19.9,;-9.01,-19.13,;-13.02,-19.89,;-14.35,-19.12,;-13.03,-21.43,;-3.09,-13.08,;-2.7,-11.58,;-4.43,-12.31,)| Show InChI InChI=1S/C23H36N4O3S/c1-17(2)18-8-10-19(11-9-18)25-14-12-20(13-15-25)27-22-7-5-4-6-21(22)26(31(27,29)30)16-23(28)24-3/h4-7,17-20H,8-16H2,1-3H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 6441-6 (2009) Article DOI: 10.1016/j.bmcl.2009.09.028 BindingDB Entry DOI: 10.7270/Q21J99W7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50311489 (2-{3-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-2...) Show SMILES CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O |(3.05,-10.56,;1.51,-10.56,;.74,-11.9,;1.51,-13.23,;-.8,-11.9,;-1.57,-13.23,;-1.24,-14.73,;.1,-15.49,;.11,-17.04,;-1.23,-17.81,;-2.56,-17.04,;-2.56,-15.5,;-3.7,-14.48,;-5.03,-15.26,;-6.36,-14.5,;-7.69,-15.27,;-7.69,-16.81,;-6.35,-17.58,;-5.01,-16.8,;-9.02,-17.59,;-10.35,-16.82,;-11.68,-17.59,;-11.68,-19.13,;-10.35,-19.9,;-9.01,-19.13,;-13.02,-19.89,;-14.35,-19.12,;-13.03,-21.43,;-3.09,-13.08,;-2.7,-11.58,;-4.43,-12.31,)| Show InChI InChI=1S/C23H36N4O3S/c1-17(2)18-8-10-19(11-9-18)25-14-12-20(13-15-25)27-22-7-5-4-6-21(22)26(31(27,29)30)16-23(28)24-3/h4-7,17-20H,8-16H2,1-3H3,(H,24,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	346	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 6441-6 (2009) Article DOI: 10.1016/j.bmcl.2009.09.028 BindingDB Entry DOI: 10.7270/Q21J99W7
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50311489 (2-{3-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-2...) Show SMILES CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O |(3.05,-10.56,;1.51,-10.56,;.74,-11.9,;1.51,-13.23,;-.8,-11.9,;-1.57,-13.23,;-1.24,-14.73,;.1,-15.49,;.11,-17.04,;-1.23,-17.81,;-2.56,-17.04,;-2.56,-15.5,;-3.7,-14.48,;-5.03,-15.26,;-6.36,-14.5,;-7.69,-15.27,;-7.69,-16.81,;-6.35,-17.58,;-5.01,-16.8,;-9.02,-17.59,;-10.35,-16.82,;-11.68,-17.59,;-11.68,-19.13,;-10.35,-19.9,;-9.01,-19.13,;-13.02,-19.89,;-14.35,-19.12,;-13.03,-21.43,;-3.09,-13.08,;-2.7,-11.58,;-4.43,-12.31,)| Show InChI InChI=1S/C23H36N4O3S/c1-17(2)18-8-10-19(11-9-18)25-14-12-20(13-15-25)27-22-7-5-4-6-21(22)26(31(27,29)30)16-23(28)24-3/h4-7,17-20H,8-16H2,1-3H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Agonist activity at human NOP receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 2 hrs				Bioorg Med Chem Lett 19: 6441-6 (2009) Article DOI: 10.1016/j.bmcl.2009.09.028 BindingDB Entry DOI: 10.7270/Q21J99W7
					More data for this Ligand-Target Pair