ChEMBL ligand: CHEMBL895 (Intapan, Nalbuphine, Nubain)
δ receptor/Delta opioid receptor in Human [ChEMBL: CHEMBL236] [GtoPdb: 317] [UniProtKB: P41143] There should be some charts here, you may need to enable JavaScript!
GroEL/GroES in Escherichia coli [ChEMBL: CHEMBL4106139] [UniProtKB: Q548M1, Q7BGE6] There should be some charts here, you may need to enable JavaScript!
HSP60/HSP10 in Human [ChEMBL: CHEMBL4106131] [UniProtKB: P10809, P61604] There should be some charts here, you may need to enable JavaScript!
κ receptor/Kappa opioid receptor in Human [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145] κ receptor in Mouse [GtoPdb: 318] [UniProtKB: P33534] There should be some charts here, you may need to enable JavaScript!
μ receptor/Mu opioid receptor in Human [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372] There should be some charts here, you may need to enable JavaScript!

DB	Assay description	Assay Type	Standard value	Standard parameter	Original value	Original units	Original parameter	Reference
δ receptor/Delta opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL236] [GtoPdb: 317] [UniProtKB: P41143]
ChEMBL	DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)	B	6.18	pKi	665	nM	Ki	DrugMatrix in vitro pharmacology data
ChEMBL	Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting	B	6.24	pKi	580	nM	Ki	Bioorg Med Chem Lett (2009) 19: 2289-2294 [PMID:19282177]
GtoPdb	-	-	6.24	pKi	580	nM	Ki	Bioorg Med Chem Lett (2009) 19: 2289-94 [PMID:19282177]
ChEMBL	Binding of PEG-Nalbuphine assays: Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed using GraphPad Prism 4.0 and IC50 is generated by non-linear regression from dose-response curves. Ki values were calculated using the Cheng Prusoff equation using the Kd values from saturation isotherms as follows: Ki=IC50/(1+[Ligand]/Kd).	B	6.5	pKi	318.85	nM	Ki	US-9233167-B2. Oligomer-opioid agonist conjugates (2016)
ChEMBL	Displacement of [3H]naltrindole from human opioid delta receptor expressed in CHO cells	B	6.62	pKi	240	nM	Ki	J Med Chem (2007) 50: 2254-2258 [PMID:17407276]
ChEMBL	DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)	B	5.72	pIC50	1886	nM	IC50	DrugMatrix in vitro pharmacology data
ChEMBL	Binding affinity against delta-opiate receptor (human) using [3H]-DPDPE radioligand	B	6.45	pIC50	353	nM	IC50	J Med Chem (2001) 44: 3378-3390 [PMID:11585443]
GroEL/GroES in Escherichia coli (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106139] [UniProtKB: Q548M1, Q7BGE6]
ChEMBL	Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured soluble pig heart MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by malachite green dye based spectrometric analysis	B	4	pIC50	>100000	nM	IC50	Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084]
HSP60/HSP10 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106131] [UniProtKB: P10809, P61604]
ChEMBL	Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Rosetta(DE3) assessed as reduction in HSP60/HSP10-mediated denatured MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 40 to 60 mins by malachite green dye based spectrometric analysis	B	4	pIC50	>100000	nM	IC50	Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084]
κ receptor/Kappa opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145]
ChEMBL	DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)	B	7.36	pKi	44	nM	Ki	DrugMatrix in vitro pharmacology data
GtoPdb	-	-	7.5	pKi	-	-	-	J Pharmacol Exp Ther (1997) 282: 676-84 [PMID:9262330]
ChEMBL	Binding of PEG-Nalbuphine assays: Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed using GraphPad Prism 4.0 and IC50 is generated by non-linear regression from dose-response curves. Ki values were calculated using the Cheng Prusoff equation using the Kd values from saturation isotherms as follows: Ki=IC50/(1+[Ligand]/Kd).	B	7.52	pKi	29.95	nM	Ki	US-9233167-B2. Oligomer-opioid agonist conjugates (2016)
ChEMBL	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting	B	8.52	pKi	3	nM	Ki	Bioorg Med Chem Lett (2009) 19: 2289-2294 [PMID:19282177]
ChEMBL	Displacement of [3H]U-69593 from human opioid kappa receptor expressed in CHO cells	B	8.66	pKi	2.2	nM	Ki	J Med Chem (2007) 50: 2254-2258 [PMID:17407276]
ChEMBL	DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)	B	6.95	pIC50	111	nM	IC50	DrugMatrix in vitro pharmacology data
ChEMBL	Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligand	B	7.08	pIC50	83	nM	IC50	J Med Chem (2001) 44: 3378-3390 [PMID:11585443]
ChEMBL	Agonist activity at human KOPR expressed in U2OS cells assessed as beta-arrestin2 recruitment after 90 mins by DiscoveRx PathHunter assay	F	6.6	pEC50	250	nM	EC50	Bioorg Med Chem Lett (2012) 22: 1023-1026 [PMID:22204910]
ChEMBL	Agonist activity at human KOPR expressed in CHO cells assessed as [35S]GTPgammaS binding after 60 mins by liquid scintillation counting	F	7.19	pEC50	65	nM	EC50	Bioorg Med Chem Lett (2012) 22: 1023-1026 [PMID:22204910]
ChEMBL	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding	F	7.25	pEC50	56	nM	EC50	Bioorg Med Chem Lett (2009) 19: 2289-2294 [PMID:19282177]
ChEMBL	Agonist activity at human opioid kappa receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding	F	7.57	pEC50	27	nM	EC50	J Med Chem (2007) 50: 2254-2258 [PMID:17407276]
ChEMBL	GTPyS binding assay: Test compound and/or vehicle was preincubated with the cell membranes and 3 uM GDP in modified HEPES buffer (pH 7.4) for 20 minutes, followed by addition of SPA beads for another 60 minutes at 30° C. The reaction is initiated by 0.3 nM [35S]GTP gamma S for an additional 30 minutes incubation period. Test compound-induced increase of [35S]GTP gamma S binding by 50 percent or more (250%) relative to the receptor subtype-specific agonist response indicates possible opiate receptor agonist activity. 0.1 uM DPDPE, 1 uM U-69593 and 1 uM DAMGO were used as the specific agonists for the delta, kappa and mu opioid receptors respectively. Opioid receptor antagonist activity was measured using inhibition of agonist-induced increase of [35S]GTP gammaS binding response by 50 percent or more (250%). Nalbuphine, 6-O-mPEG3-Nalbuphine, 6-O-mPEG6-Nalbuphine, 6-O-mPEG9-Nalbuphine were screened at concentrations of 10, 1, 0.1, 0.01 and 0.001 uM in both agonist and antagonist mode. EC50 or IC50 values were calculated from the dose-response curves as a measure of the agonist or antagonist activity of the test compounds respectively.	B	7.6	pEC50	25.1	nM	EC50	US-9233167-B2. Oligomer-opioid agonist conjugates (2016)
κ receptor in Mouse [GtoPdb: 318] [UniProtKB: P33534]
GtoPdb	-	-	7.4	pIC50	-	-	-	Proc Natl Acad Sci USA (1993) 90: 6736-40 [PMID:8393575]
μ receptor/Mu opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372]
ChEMBL	Binding of PEG-Nalbuphine assays: Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed using GraphPad Prism 4.0 and IC50 is generated by non-linear regression from dose-response curves. Ki values were calculated using the Cheng Prusoff equation using the Kd values from saturation isotherms as follows: Ki=IC50/(1+[Ligand]/Kd).	B	7.84	pKi	14.31	nM	Ki	US-9233167-B2. Oligomer-opioid agonist conjugates (2016)
ChEMBL	DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)	B	8	pKi	9.93	nM	Ki	DrugMatrix in vitro pharmacology data
ChEMBL	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting	B	8.8	pKi	1.6	nM	Ki	Bioorg Med Chem Lett (2009) 19: 2289-2294 [PMID:19282177]
GtoPdb	-	-	8.8	pKi	1.6	nM	Ki	Bioorg Med Chem Lett (2009) 19: 2289-94 [PMID:19282177]
ChEMBL	Displacement of [3H]DAMGO from human opioid gamma receptor expressed in CHO cells	B	9.05	pKi	0.89	nM	Ki	J Med Chem (2007) 50: 2254-2258 [PMID:17407276]
ChEMBL	GTPyS binding assay: Test compound and/or vehicle was preincubated with the cell membranes and 3 uM GDP in modified HEPES buffer (pH 7.4) for 20 minutes, followed by addition of SPA beads for another 60 minutes at 30° C. The reaction is initiated by 0.3 nM [35S]GTP gamma S for an additional 30 minutes incubation period. Test compound-induced increase of [35S]GTP gamma S binding by 50 percent or more (250%) relative to the receptor subtype-specific agonist response indicates possible opiate receptor agonist activity. 0.1 uM DPDPE, 1 uM U-69593 and 1 uM DAMGO were used as the specific agonists for the delta, kappa and mu opioid receptors respectively. Opioid receptor antagonist activity was measured using inhibition of agonist-induced increase of [35S]GTP gammaS binding response by 50 percent or more (250%). Nalbuphine, 6-O-mPEG3-Nalbuphine, 6-O-mPEG6-Nalbuphine, 6-O-mPEG9-Nalbuphine were screened at concentrations of 10, 1, 0.1, 0.01 and 0.001 uM in both agonist and antagonist mode. EC50 or IC50 values were calculated from the dose-response curves as a measure of the agonist or antagonist activity of the test compounds respectively.	B	6.12	pIC50	752	nM	IC50	US-9233167-B2. Oligomer-opioid agonist conjugates (2016)
ChEMBL	Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding	F	6.96	pIC50	110	nM	IC50	J Med Chem (2007) 50: 2254-2258 [PMID:17407276]
ChEMBL	Antagonist activity against human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding	F	7.02	pIC50	96	nM	IC50	Bioorg Med Chem Lett (2009) 19: 2289-2294 [PMID:19282177]
ChEMBL	DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)	B	7.62	pIC50	24	nM	IC50	DrugMatrix in vitro pharmacology data
ChEMBL	Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligand	B	9	pIC50	1	nM	IC50	J Med Chem (2001) 44: 3378-3390 [PMID:11585443]
ChEMBL	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding	F	7.34	pEC50	46	nM	EC50	Bioorg Med Chem Lett (2009) 19: 2289-2294 [PMID:19282177]
ChEMBL	Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding	F	7.85	pEC50	14	nM	EC50	J Med Chem (2007) 50: 2254-2258 [PMID:17407276]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]