Compile Data Set for Download or QSAR

Found 264 hits Enz. Inhib. hit(s) with all data for entry = 3010   

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))	BDBM26946 (8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...) Show SMILES CC(C)CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O Show InChI InChI=1S/C32H46N4O/c1-25(2)15-19-33-20-23-35-24-36(26-10-6-5-7-11-26)32(30(35)37)17-21-34(22-18-32)29-14-16-31(3,4)28-13-9-8-12-27(28)29/h5-13,25,29,33H,14-24H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26927 (3-[2-(butylamino)ethyl]-8-[(2,6-dichlorophenyl)met...) Show SMILES CCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O Show InChI InChI=1S/C26H34Cl2N4O/c1-2-3-14-29-15-18-31-20-32(21-8-5-4-6-9-21)26(25(31)33)12-16-30(17-13-26)19-22-23(27)10-7-11-24(22)28/h4-11,29H,2-3,12-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26945 (3-[2-(butylamino)ethyl]-8-(4,4-dimethyl-1,2,3,4-te...) Show SMILES CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O Show InChI InChI=1S/C31H44N4O/c1-4-5-19-32-20-23-34-24-35(25-11-7-6-8-12-25)31(29(34)36)17-21-33(22-18-31)28-15-16-30(2,3)27-14-10-9-13-26(27)28/h6-14,28,32H,4-5,15-24H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26923 (3-{2-[(cyclopropylmethyl)amino]ethyl}-8-[(2,6-dich...) Show SMILES Clc1cccc(Cl)c1CN1CCC2(CC1)N(CN(CCNCC1CC1)C2=O)c1ccccc1 Show InChI InChI=1S/C26H32Cl2N4O/c27-23-7-4-8-24(28)22(23)18-30-14-11-26(12-15-30)25(33)31(16-13-29-17-20-9-10-20)19-32(26)21-5-2-1-3-6-21/h1-8,20,29H,9-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26942 (8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...) Show SMILES CC(C)CNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O Show InChI InChI=1S/C31H44N4O/c1-24(2)22-32-18-21-34-23-35(25-10-6-5-7-11-25)31(29(34)36)16-19-33(20-17-31)28-14-15-30(3,4)27-13-9-8-12-26(27)28/h5-13,24,28,32H,14-23H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26924 (3-[2-(cyclobutylamino)ethyl]-8-[(2,6-dichloropheny...) Show SMILES Clc1cccc(Cl)c1CN1CCC2(CC1)N(CN(CCNC1CCC1)C2=O)c1ccccc1 Show InChI InChI=1S/C26H32Cl2N4O/c27-23-10-5-11-24(28)22(23)18-30-15-12-26(13-16-30)25(33)31(17-14-29-20-6-4-7-20)19-32(26)21-8-2-1-3-9-21/h1-3,5,8-11,20,29H,4,6-7,12-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26926 (8-[(2,6-dichlorophenyl)methyl]-3-{2-[(2-methylprop...) Show SMILES CC(C)CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O Show InChI InChI=1S/C26H34Cl2N4O/c1-20(2)17-29-13-16-31-19-32(21-7-4-3-5-8-21)26(25(31)33)11-14-30(15-12-26)18-22-23(27)9-6-10-24(22)28/h3-10,20,29H,11-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26954 (3-[2-(butylamino)ethyl]-8-(6-chloro-4,4-dimethyl-1...) Show SMILES CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3cc(Cl)ccc23)C1=O Show InChI InChI=1S/C31H43ClN4O/c1-4-5-17-33-18-21-35-23-36(25-9-7-6-8-10-25)31(29(35)37)15-19-34(20-16-31)28-13-14-30(2,3)27-22-24(32)11-12-26(27)28/h6-12,22,28,33H,4-5,13-21,23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26925 (8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(prop...) Show SMILES CCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O Show InChI InChI=1S/C25H32Cl2N4O/c1-2-13-28-14-17-30-19-31(20-7-4-3-5-8-20)25(24(30)32)11-15-29(16-12-25)18-21-22(26)9-6-10-23(21)27/h3-10,28H,2,11-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26922 (8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(prop...) Show SMILES CC(C)NCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O Show InChI InChI=1S/C25H32Cl2N4O/c1-19(2)28-13-16-30-18-31(20-7-4-3-5-8-20)25(24(30)32)11-14-29(15-12-25)17-21-22(26)9-6-10-23(21)27/h3-10,19,28H,11-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26921 (8-[(2,6-dichlorophenyl)methyl]-3-[2-(ethylamino)et...) Show SMILES CCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O Show InChI InChI=1S/C24H30Cl2N4O/c1-2-27-13-16-29-18-30(19-7-4-3-5-8-19)24(23(29)31)11-14-28(15-12-24)17-20-21(25)9-6-10-22(20)26/h3-10,27H,2,11-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26950 (3-{2-[(cyclohexylmethyl)amino]ethyl}-8-(4,4-dimeth...) Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC2CCCCC2)C3=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C34H48N4O/c1-33(2)18-17-31(29-15-9-10-16-30(29)33)36-22-19-34(20-23-36)32(39)37(26-38(34)28-13-7-4-8-14-28)24-21-35-25-27-11-5-3-6-12-27/h4,7-10,13-16,27,31,35H,3,5-6,11-12,17-26H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26920 (8-[(2,6-dichlorophenyl)methyl]-3-[2-(methylamino)e...) Show SMILES CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O Show InChI InChI=1S/C23H28Cl2N4O/c1-26-12-15-28-17-29(18-6-3-2-4-7-18)23(22(28)30)10-13-27(14-11-23)16-19-20(24)8-5-9-21(19)25/h2-9,26H,10-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26941 (3-{2-[(cyclopropylmethyl)amino]ethyl}-8-(4,4-dimet...) Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC2CC2)C3=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C31H42N4O/c1-30(2)15-14-28(26-10-6-7-11-27(26)30)33-19-16-31(17-20-33)29(36)34(21-18-32-22-24-12-13-24)23-35(31)25-8-4-3-5-9-25/h3-11,24,28,32H,12-23H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26937 (3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-1,2,3...) Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCCCC2)C3=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C33H46N4O/c1-32(2)18-17-30(28-15-9-10-16-29(28)32)35-22-19-33(20-23-35)31(38)36(24-21-34-26-11-5-3-6-12-26)25-37(33)27-13-7-4-8-14-27/h4,7-10,13-16,26,30,34H,3,5-6,11-12,17-25H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26936 (3-[2-(cyclopentylamino)ethyl]-8-(4,4-dimethyl-1,2,...) Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCCC2)C3=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C32H44N4O/c1-31(2)17-16-29(27-14-8-9-15-28(27)31)34-21-18-32(19-22-34)30(37)35(23-20-33-25-10-6-7-11-25)24-36(32)26-12-4-3-5-13-26/h3-5,8-9,12-15,25,29,33H,6-7,10-11,16-24H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26939 (8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...) Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC=C)C3=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C30H40N4O/c1-4-18-31-19-22-33-23-34(24-10-6-5-7-11-24)30(28(33)35)16-20-32(21-17-30)27-14-15-29(2,3)26-13-9-8-12-25(26)27/h4-13,27,31H,1,14-23H2,2-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26938 (8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...) Show SMILES CCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O Show InChI InChI=1S/C30H42N4O/c1-4-18-31-19-22-33-23-34(24-10-6-5-7-11-24)30(28(33)35)16-20-32(21-17-30)27-14-15-29(2,3)26-13-9-8-12-25(26)27/h5-13,27,31H,4,14-23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26928 (8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)...) Show SMILES CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O Show InChI InChI=1S/C26H34Cl2N4O/c1-3-29(4-2)17-18-31-20-32(21-9-6-5-7-10-21)26(25(31)33)13-15-30(16-14-26)19-22-23(27)11-8-12-24(22)28/h5-12H,3-4,13-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26947 (8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...) Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C25H31N3O/c1-24(2)13-12-22(20-10-6-7-11-21(20)24)27-16-14-25(15-17-27)23(29)26-18-28(25)19-8-4-3-5-9-19/h3-11,22H,12-18H2,1-2H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26944 (8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...) Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CN(CCN2CCCC2)C3=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C31H42N4O/c1-30(2)15-14-28(26-12-6-7-13-27(26)30)33-20-16-31(17-21-33)29(36)34(23-22-32-18-8-9-19-32)24-35(31)25-10-4-3-5-11-25/h3-7,10-13,28H,8-9,14-24H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26935 (8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...) Show SMILES CC(C)NCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O Show InChI InChI=1S/C30H42N4O/c1-23(2)31-18-21-33-22-34(24-10-6-5-7-11-24)30(28(33)35)16-19-32(20-17-30)27-14-15-29(3,4)26-13-9-8-12-25(26)27/h5-13,23,27,31H,14-22H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26940 (3-[2-(cyclobutylamino)ethyl]-8-(4,4-dimethyl-1,2,3...) Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCC2)C3=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C31H42N4O/c1-30(2)16-15-28(26-13-6-7-14-27(26)30)33-20-17-31(18-21-33)29(36)34(22-19-32-24-9-8-10-24)23-35(31)25-11-4-3-5-12-25/h3-7,11-14,24,28,32H,8-10,15-23H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26934 (8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...) Show SMILES CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O Show InChI InChI=1S/C29H40N4O/c1-4-30-18-21-32-22-33(23-10-6-5-7-11-23)29(27(32)34)16-19-31(20-17-29)26-14-15-28(2,3)25-13-9-8-12-24(25)26/h5-13,26,30H,4,14-22H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26932 (8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...) Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CN(CCO)C3=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C27H35N3O2/c1-26(2)13-12-24(22-10-6-7-11-23(22)26)28-16-14-27(15-17-28)25(32)29(18-19-31)20-30(27)21-8-4-3-5-9-21/h3-11,24,31H,12-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26953 (3-[2-(butylamino)ethyl]-8-(5-chloro-1,2,3,4-tetrah...) Show SMILES CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCCc3c(Cl)cccc23)C1=O Show InChI InChI=1S/C29H39ClN4O/c1-2-3-17-31-18-21-33-22-34(23-9-5-4-6-10-23)29(28(33)35)15-19-32(20-16-29)27-14-8-11-24-25(27)12-7-13-26(24)30/h4-7,9-10,12-13,27,31H,2-3,8,11,14-22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26906 (8-[bis(2-chlorophenyl)methyl]-3-[2-(ethylamino)eth...) Show SMILES CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O Show InChI InChI=1S/C30H34Cl2N4O/c1-2-33-18-21-35-22-36(23-10-4-3-5-11-23)30(29(35)37)16-19-34(20-17-30)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,28,33H,2,16-22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	-49.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26933 (8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...) Show SMILES CNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O Show InChI InChI=1S/C28H38N4O/c1-27(2)14-13-25(23-11-7-8-12-24(23)27)30-18-15-28(16-19-30)26(33)31(20-17-29-3)21-32(28)22-9-5-4-6-10-22/h4-12,25,29H,13-21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26913 (8-[bis(2-chlorophenyl)methyl]-3-[2-(butylamino)eth...) Show SMILES CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O Show InChI InChI=1S/C32H38Cl2N4O/c1-2-3-19-35-20-23-37-24-38(25-11-5-4-6-12-25)32(31(37)39)17-21-36(22-18-32)30(26-13-7-9-15-28(26)33)27-14-8-10-16-29(27)34/h4-16,30,35H,2-3,17-24H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.15	-49.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26916 (8-[bis(2-chlorophenyl)methyl]-1-phenyl-3-[2-(pyrro...) Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCN1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl Show InChI InChI=1S/C32H36Cl2N4O/c33-28-14-6-4-12-26(28)30(27-13-5-7-15-29(27)34)36-20-16-32(17-21-36)31(39)37(23-22-35-18-8-9-19-35)24-38(32)25-10-2-1-3-11-25/h1-7,10-15,30H,8-9,16-24H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.25	-48.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26919 (8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-tria...) Show SMILES Clc1cccc(Cl)c1CN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C20H21Cl2N3O/c21-17-7-4-8-18(22)16(17)13-24-11-9-20(10-12-24)19(26)23-14-25(20)15-5-2-1-3-6-15/h1-8H,9-14H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26929 (8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(pyrr...) Show SMILES Clc1cccc(Cl)c1CN1CCC2(CC1)N(CN(CCN1CCCC1)C2=O)c1ccccc1 Show InChI InChI=1S/C26H32Cl2N4O/c27-23-9-6-10-24(28)22(23)19-30-15-11-26(12-16-30)25(33)31(18-17-29-13-4-5-14-29)20-32(26)21-7-2-1-3-8-21/h1-3,6-10H,4-5,11-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26907 (8-[bis(2-chlorophenyl)methyl]-1-phenyl-3-[2-(propa...) Show SMILES CC(C)NCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O Show InChI InChI=1S/C31H36Cl2N4O/c1-23(2)34-18-21-36-22-37(24-10-4-3-5-11-24)31(30(36)38)16-19-35(20-17-31)29(25-12-6-8-14-27(25)32)26-13-7-9-15-28(26)33/h3-15,23,29,34H,16-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.55	-48.6	n/a	n/a	n/a	n/a	n/a	7.4	22
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26914 (8-[bis(2-chlorophenyl)methyl]-3-{2-[(2-methylpropy...) Show SMILES CC(C)CNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O Show InChI InChI=1S/C32H38Cl2N4O/c1-24(2)22-35-18-21-37-23-38(25-10-4-3-5-11-25)32(31(37)39)16-19-36(20-17-32)30(26-12-6-8-14-28(26)33)27-13-7-9-15-29(27)34/h3-15,24,30,35H,16-23H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.75	-48.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26917 (8-[bis(2-chlorophenyl)methyl]-1-phenyl-3-[3-(pyrro...) Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCCN1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl Show InChI InChI=1S/C33H38Cl2N4O/c34-29-15-6-4-13-27(29)31(28-14-5-7-16-30(28)35)37-23-17-33(18-24-37)32(40)38(22-10-21-36-19-8-9-20-36)25-39(33)26-11-2-1-3-12-26/h1-7,11-16,31H,8-10,17-25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	-48.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26910 (8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)...) Show SMILES CN(C)CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O Show InChI InChI=1S/C30H34Cl2N4O/c1-33(2)20-21-35-22-36(23-10-4-3-5-11-23)30(29(35)37)16-18-34(19-17-30)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,28H,16-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	-47.8	n/a	n/a	n/a	n/a	n/a	7.4	22
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26951 (3-[2-(benzylamino)ethyl]-8-(4,4-dimethyl-1,2,3,4-t...) Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCc2ccccc2)C3=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C34H42N4O/c1-33(2)18-17-31(29-15-9-10-16-30(29)33)36-22-19-34(20-23-36)32(39)37(26-38(34)28-13-7-4-8-14-28)24-21-35-25-27-11-5-3-6-12-27/h3-16,31,35H,17-26H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26911 (8-[bis(2-chlorophenyl)methyl]-3-[2-(cyclopropylami...) Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CC1)C2=O)c1ccccc1)c1ccccc1Cl Show InChI InChI=1S/C31H34Cl2N4O/c32-27-12-6-4-10-25(27)29(26-11-5-7-13-28(26)33)35-19-16-31(17-20-35)30(38)36(21-18-34-23-14-15-23)22-37(31)24-8-2-1-3-9-24/h1-13,23,29,34H,14-22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.70	-47.6	n/a	n/a	n/a	n/a	n/a	7.4	22
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26915 (8-[bis(2-chlorophenyl)methyl]-3-{2-[(cyclohexylmet...) Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNCC1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl Show InChI InChI=1S/C35H42Cl2N4O/c36-31-17-9-7-15-29(31)33(30-16-8-10-18-32(30)37)39-22-19-35(20-23-39)34(42)40(26-41(35)28-13-5-2-6-14-28)24-21-38-25-27-11-3-1-4-12-27/h2,5-10,13-18,27,33,38H,1,3-4,11-12,19-26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.80	-47.6	n/a	n/a	n/a	n/a	n/a	7.4	22
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26905 (8-[bis(2-chlorophenyl)methyl]-3-[2-(methylamino)et...) Show SMILES CNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O Show InChI InChI=1S/C29H32Cl2N4O/c1-32-17-20-34-21-35(22-9-3-2-4-10-22)29(28(34)36)15-18-33(19-16-29)27(23-11-5-7-13-25(23)30)24-12-6-8-14-26(24)31/h2-14,27,32H,15-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.05	-47.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26931 (8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...) Show SMILES CC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O Show InChI InChI=1S/C28H35N3O2/c1-21(32)19-30-20-31(22-9-5-4-6-10-22)28(26(30)33)15-17-29(18-16-28)25-13-14-27(2,3)24-12-8-7-11-23(24)25/h4-12,25H,13-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26909 (8-[bis(2-chlorophenyl)methyl]-3-[2-(cyclohexylamin...) Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl Show InChI InChI=1S/C34H40Cl2N4O/c35-30-17-9-7-15-28(30)32(29-16-8-10-18-31(29)36)38-22-19-34(20-23-38)33(41)39(24-21-37-26-11-3-1-4-12-26)25-40(34)27-13-5-2-6-14-27/h2,5-10,13-18,26,32,37H,1,3-4,11-12,19-25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	-46.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26930 (8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...) Show SMILES CCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O Show InChI InChI=1S/C28H37N3O/c1-4-18-30-21-31(22-10-6-5-7-11-22)28(26(30)32)16-19-29(20-17-28)25-14-15-27(2,3)24-13-9-8-12-23(24)25/h5-13,25H,4,14-21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26943 (3-{2-[bis(propan-2-yl)amino]ethyl}-8-(4,4-dimethyl...) Show SMILES CC(C)N(CCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O)C(C)C Show InChI InChI=1S/C33H48N4O/c1-25(2)36(26(3)4)23-22-35-24-37(27-12-8-7-9-13-27)33(31(35)38)18-20-34(21-19-33)30-16-17-32(5,6)29-15-11-10-14-28(29)30/h7-15,25-26,30H,16-24H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26918 (8-[bis(2-chlorophenyl)methyl]-1-phenyl-3-[2-(piper...) Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCN1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl Show InChI InChI=1S/C33H38Cl2N4O/c34-29-15-7-5-13-27(29)31(28-14-6-8-16-30(28)35)37-21-17-33(18-22-37)32(40)38(24-23-36-19-9-2-10-20-36)25-39(33)26-11-3-1-4-12-26/h1,3-8,11-16,31H,2,9-10,17-25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM26926 (8-[(2,6-dichlorophenyl)methyl]-3-{2-[(2-methylprop...) Show SMILES CC(C)CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O Show InChI InChI=1S/C26H34Cl2N4O/c1-20(2)17-29-13-16-31-19-32(21-7-4-3-5-8-21)26(25(31)33)11-14-30(15-12-26)18-22-23(27)9-6-10-24(22)28/h3-10,20,29H,11-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26908 (8-[bis(2-chlorophenyl)methyl]-3-[2-(cyclopentylami...) Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl Show InChI InChI=1S/C33H38Cl2N4O/c34-29-16-8-6-14-27(29)31(28-15-7-9-17-30(28)35)37-21-18-33(19-22-37)32(40)38(23-20-36-25-10-4-5-11-25)24-39(33)26-12-2-1-3-13-26/h1-3,6-9,12-17,25,31,36H,4-5,10-11,18-24H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.65	-45.6	n/a	n/a	n/a	n/a	n/a	7.4	22
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM26927 (3-[2-(butylamino)ethyl]-8-[(2,6-dichlorophenyl)met...) Show SMILES CCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O Show InChI InChI=1S/C26H34Cl2N4O/c1-2-3-14-29-15-18-31-20-32(21-8-5-4-6-9-21)26(25(31)33)12-16-30(17-13-26)19-22-23(27)10-7-11-24(22)28/h4-11,29H,2-3,12-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26949 (8-[bis(2-chlorophenyl)methyl]-1-phenyl-1,3,8-triaz...) Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1Cl Show InChI InChI=1S/C26H25Cl2N3O/c27-22-12-6-4-10-20(22)24(21-11-5-7-13-23(21)28)30-16-14-26(15-17-30)25(32)29-18-31(26)19-8-2-1-3-9-19/h1-13,24H,14-18H2,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM26952 (3-[2-(butylamino)ethyl]-8-(7-chloro-1,2,3,4-tetrah...) Show SMILES CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCCc3ccc(Cl)cc23)C1=O Show InChI InChI=1S/C29H39ClN4O/c1-2-3-16-31-17-20-33-22-34(25-9-5-4-6-10-25)29(28(33)35)14-18-32(19-15-29)27-11-7-8-23-12-13-24(30)21-26(23)27/h4-6,9-10,12-13,21,27,31H,2-3,7-8,11,14-20,22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair

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