Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50028583   

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))	BDBM50259399 (CHEMBL3084551 | endo-methyl 8-(bis(2-chlorophenyl)...) Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(=O)OC)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2| Show InChI InChI=1S/C27H27Cl2N3O2/c1-34-26(33)31-27(24-12-6-7-15-30-24)16-18-13-14-19(17-27)32(18)25(20-8-2-4-10-22(20)28)21-9-3-5-11-23(21)29/h2-12,15,18-19,25H,13-14,16-17H2,1H3,(H,31,33)/t18-,19-/m1/s1	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	n/a	n/a	87	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding				Bioorg Med Chem Lett 19: 2482-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.057 BindingDB Entry DOI: 10.7270/Q2D21XH9
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50259099 (CHEMBL3084527 | endo-N-((8-(bis(2-chlorophenyl)met...) Show SMILES [H][C@]12CC[C@]([H])(C[C@@](CNC(C)=O)(C1)c1ccccc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:20:3.2| Show InChI InChI=1S/C29H30Cl2N2O/c1-20(34)32-19-29(21-9-3-2-4-10-21)17-22-15-16-23(18-29)33(22)28(24-11-5-7-13-26(24)30)25-12-6-8-14-27(25)31/h2-14,22-23,28H,15-19H2,1H3,(H,32,34)/t22-,23-/m1/s1	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	n/a	n/a	269	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding				Bioorg Med Chem Lett 19: 2482-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.057 BindingDB Entry DOI: 10.7270/Q2D21XH9
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50259098 (CHEMBL3084526 | endo-8-(bis(2-chlorophenyl)methyl)...) Show SMILES [H][C@]12CC[C@]([H])(C[C@@](Cc3ccc(F)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:20:2.3| Show InChI InChI=1S/C28H27Cl2FN2O/c29-24-7-3-1-5-22(24)26(23-6-2-4-8-25(23)30)33-20-13-14-21(33)17-28(16-20,27(32)34)15-18-9-11-19(31)12-10-18/h1-12,20-21,26H,13-17H2,(H2,32,34)/t20-,21-/m1/s1	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	n/a	n/a	11	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding				Bioorg Med Chem Lett 19: 2482-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.057 BindingDB Entry DOI: 10.7270/Q2D21XH9
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50259142 (CHEMBL3084529 | endo-8-(bis(2-chlorophenyl)methyl)...) Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2| Show InChI InChI=1S/C26H24Cl2FN3O/c27-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)28)32-17-10-11-18(32)14-26(13-17,25(30)33)23-12-9-16(29)15-31-23/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1	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	n/a	n/a	20	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding				Bioorg Med Chem Lett 19: 2482-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.057 BindingDB Entry DOI: 10.7270/Q2D21XH9
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50259397 (CHEMBL3084549 | endo-N-(8-(bis(2-chlorophenyl)meth...) Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(C)=O)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2| Show InChI InChI=1S/C27H27Cl2N3O/c1-18(33)31-27(25-12-6-7-15-30-25)16-19-13-14-20(17-27)32(19)26(21-8-2-4-10-23(21)28)22-9-3-5-11-24(22)29/h2-12,15,19-20,26H,13-14,16-17H2,1H3,(H,31,33)/t19-,20-/m1/s1	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	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding				Bioorg Med Chem Lett 19: 2482-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.057 BindingDB Entry DOI: 10.7270/Q2D21XH9
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50259144 (8-(bis(2-chlorophenyl)methyl)-3-(5-bromopyridin-2-...) Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(Br)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2| Show InChI InChI=1S/C26H24BrCl2N3O/c27-16-9-12-23(31-15-16)26(25(30)33)13-17-10-11-18(14-26)32(17)24(19-5-1-3-7-21(19)28)20-6-2-4-8-22(20)29/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1	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	n/a	n/a	421	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding				Bioorg Med Chem Lett 19: 2482-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.057 BindingDB Entry DOI: 10.7270/Q2D21XH9
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50259143 (CHEMBL3084530 | endo-8-(bis(2-chlorophenyl)methyl)...) Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(Cl)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2| Show InChI InChI=1S/C26H24Cl3N3O/c27-16-9-12-23(31-15-16)26(25(30)33)13-17-10-11-18(14-26)32(17)24(19-5-1-3-7-21(19)28)20-6-2-4-8-22(20)29/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1	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	n/a	n/a	368	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding				Bioorg Med Chem Lett 19: 2482-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.057 BindingDB Entry DOI: 10.7270/Q2D21XH9
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50259552 (CHEMBL3084558 | endo-methyl 8-(bis(2-chlorophenyl)...) Show SMILES [H][C@]12CC[C@]([H])(C[C@](Cc3ccc(Cl)cc3)(C1)NC(=O)OC)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:22:3.2| Show InChI InChI=1S/C29H29Cl3N2O2/c1-36-28(35)33-29(16-19-10-12-20(30)13-11-19)17-21-14-15-22(18-29)34(21)27(23-6-2-4-8-25(23)31)24-7-3-5-9-26(24)32/h2-13,21-22,27H,14-18H2,1H3,(H,33,35)/t21-,22-/m1/s1	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	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding				Bioorg Med Chem Lett 19: 2482-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.057 BindingDB Entry DOI: 10.7270/Q2D21XH9
					More data for this Ligand-Target Pair