null

SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50101112   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50101112 (CHEMBL3325958) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:19.21,16.14,(17.32,-17.54,;18.64,-18.31,;19.96,-17.54,;18.64,-19.83,;17.32,-20.6,;15.99,-19.83,;18.07,-21.92,;19.6,-21.92,;20.36,-23.25,;20.37,-20.6,;16.55,-21.91,;17.31,-23.24,;15.02,-21.91,;10.36,-24.59,;8.87,-25,;7.78,-23.92,;8.48,-26.5,;7.72,-25.17,;6.18,-25.16,;5.41,-26.49,;6.18,-27.82,;7.7,-27.83,;4.5,-27.75,;2.96,-27.59,;2.33,-26.17,;3.24,-24.92,;4.78,-25.09,;5.41,-23.67,;4.26,-22.63,;4.26,-21.08,;2.92,-20.31,;1.59,-21.09,;.25,-20.31,;1.59,-22.64,;2.92,-23.41,;10.02,-26.51,;10.78,-27.85,;12.32,-27.86,;13.1,-26.53,;12.33,-25.18,;10.79,-25.18,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50101112 (CHEMBL3325958) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:19.21,16.14,(17.32,-17.54,;18.64,-18.31,;19.96,-17.54,;18.64,-19.83,;17.32,-20.6,;15.99,-19.83,;18.07,-21.92,;19.6,-21.92,;20.36,-23.25,;20.37,-20.6,;16.55,-21.91,;17.31,-23.24,;15.02,-21.91,;10.36,-24.59,;8.87,-25,;7.78,-23.92,;8.48,-26.5,;7.72,-25.17,;6.18,-25.16,;5.41,-26.49,;6.18,-27.82,;7.7,-27.83,;4.5,-27.75,;2.96,-27.59,;2.33,-26.17,;3.24,-24.92,;4.78,-25.09,;5.41,-23.67,;4.26,-22.63,;4.26,-21.08,;2.92,-20.31,;1.59,-21.09,;.25,-20.31,;1.59,-22.64,;2.92,-23.41,;10.02,-26.51,;10.78,-27.85,;12.32,-27.86,;13.1,-26.53,;12.33,-25.18,;10.79,-25.18,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair