Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50035376   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nociceptin receptor (Homo sapiens (Human))	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration required to stimulate [35S]GTP-gamma-S, binding to human NOP receptor in cell membrane				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50137561 (1-((2S,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...) Show SMILES O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1 Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18+,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration required to stimulate [35S]GTP-gamma-S, binding to human NOP receptor in cell membrane				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50137567 (1-((2R,6S,9aR)-6-Cyclohexyl-octahydro-quinolizin-2...) Show SMILES O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2C2CCCCC2)C1 Show InChI InChI=1S/C22H31N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h4-5,10-11,16-18,20H,1-3,6-9,12-15H2,(H,23,26)/t17-,18-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	678	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration required to stimulate [35S]GTP-gamma-S, binding to human NOP receptor in cell membrane				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50137566 (1-Ethyl-3-((2R,6S,9aR)-6-phenyl-octahydro-quinoliz...) Show SMILES CCn1c2ccccc2n([C@@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	165	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration required to stimulate [35S]GTP-gamma-S, binding to human NOP receptor in cell membrane				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50137568 (1-((2S,6S,9aR)-6-Cyclohexyl-octahydro-quinolizin-2...) Show SMILES O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2C2CCCCC2)C1 Show InChI InChI=1S/C22H31N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h4-5,10-11,16-18,20H,1-3,6-9,12-15H2,(H,23,26)/t17-,18+,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration required to stimulate [35S]GTP-gamma-S, binding to human NOP receptor in cell membrane				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50137565 (1-((2R,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...) Show SMILES O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1 Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	65	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration required to stimulate [35S]GTP-gamma-S, binding to human NOP receptor in cell membrane				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50137563 (1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinoliz...) Show SMILES CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20+,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration required to stimulate [35S]GTP-gamma-S, binding to human NOP receptor in cell membrane				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair