Compile Data Set for Download or QSAR

Found 1044 hits with Last Name = 'fernandez' and Initial = 'x'   

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))	BDBM50258880 (8-(dio-tolylmethyl)-3-phenyl-8-azabicyclo[3.2.1]oc...) Show SMILES Cc1ccccc1C(N1C2CCC1CC(O)(C2)c1ccccc1)c1ccccc1C |THB:15:14:8:10.11| Show InChI InChI=1S/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 2519-23 (2009) Article DOI: 10.1016/j.bmcl.2009.03.031 BindingDB Entry DOI: 10.7270/Q20V8CPS
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50116078 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									Eur J Pharmacol 450: 191-202 (2002) Article DOI: 10.1016/s0014-2999(02)02124-6 BindingDB Entry DOI: 10.7270/Q2862F1R
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50210235 (4-(2-(aminomethyl)phenyl)-1-(1-phenylpentyl)piperi...) Show SMILES CCCCC(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:4.3| Show InChI InChI=1S/C23H32N2O/c1-2-3-13-22(19-9-5-4-6-10-19)25-16-14-23(26,15-17-25)21-12-8-7-11-20(21)18-24/h4-12,22,26H,2-3,13-18,24H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3028-33 (2007) Article DOI: 10.1016/j.bmcl.2007.03.062 BindingDB Entry DOI: 10.7270/Q2Z31ZBS
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50071112 (CHEMBL56835 | N-[4-(4-Acetylamino-4-phenyl-piperid...) Show SMILES CN(CC(CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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 Curated by PDSP Ki Database									Eur J Pharmacol 450: 191-202 (2002) Article DOI: 10.1016/s0014-2999(02)02124-6 BindingDB Entry DOI: 10.7270/Q2862F1R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50116078 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Curated by PDSP Ki Database									Eur J Pharmacol 450: 191-202 (2002) Article DOI: 10.1016/s0014-2999(02)02124-6 BindingDB Entry DOI: 10.7270/Q2862F1R
					More data for this Ligand-Target Pair
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))	BDBM50210229 (4-(2-(aminomethyl)phenyl)-1-((2-chlorophenyl)(phen...) Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1Cl |w:15.16| Show InChI InChI=1S/C25H27ClN2O/c26-23-13-7-5-11-21(23)24(19-8-2-1-3-9-19)28-16-14-25(29,15-17-28)22-12-6-4-10-20(22)18-27/h1-13,24,29H,14-18,27H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3028-33 (2007) Article DOI: 10.1016/j.bmcl.2007.03.062 BindingDB Entry DOI: 10.7270/Q2Z31ZBS
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50210247 (4-(2-(aminomethyl)phenyl)-1-(1-phenylhexyl)piperid...) Show SMILES CCCCCC(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:5.4| Show InChI InChI=1S/C24H34N2O/c1-2-3-5-14-23(20-10-6-4-7-11-20)26-17-15-24(27,16-18-26)22-13-9-8-12-21(22)19-25/h4,6-13,23,27H,2-3,5,14-19,25H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3028-33 (2007) Article DOI: 10.1016/j.bmcl.2007.03.062 BindingDB Entry DOI: 10.7270/Q2Z31ZBS
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50210242 (4-(2-(aminomethyl)phenyl)-1-(bis(2-fluorophenyl)me...) Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1F)c1ccccc1F Show InChI InChI=1S/C25H26F2N2O/c26-22-11-5-2-8-19(22)24(20-9-3-6-12-23(20)27)29-15-13-25(30,14-16-29)21-10-4-1-7-18(21)17-28/h1-12,24,30H,13-17,28H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3028-33 (2007) Article DOI: 10.1016/j.bmcl.2007.03.062 BindingDB Entry DOI: 10.7270/Q2Z31ZBS
					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))	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))	BDBM50210206 (4-(2-(aminomethyl)phenyl)-1-(dio-tolylmethyl)piper...) Show SMILES Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1C Show InChI InChI=1S/C27H32N2O/c1-20-9-3-6-12-23(20)26(24-13-7-4-10-21(24)2)29-17-15-27(30,16-18-29)25-14-8-5-11-22(25)19-28/h3-14,26,30H,15-19,28H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3028-33 (2007) Article DOI: 10.1016/j.bmcl.2007.03.062 BindingDB Entry DOI: 10.7270/Q2Z31ZBS
					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))	BDBM50210212 (4-(2-(aminomethyl)phenyl)-1-(bis(2-chlorophenyl)me...) Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl Show InChI InChI=1S/C25H26Cl2N2O/c26-22-11-5-2-8-19(22)24(20-9-3-6-12-23(20)27)29-15-13-25(30,14-16-29)21-10-4-1-7-18(21)17-28/h1-12,24,30H,13-17,28H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3028-33 (2007) Article DOI: 10.1016/j.bmcl.2007.03.062 BindingDB Entry DOI: 10.7270/Q2Z31ZBS
					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))	BDBM50210238 (1-(bis(2-chlorophenyl)methyl)-4-(2-((4-(isopropyls...) Show SMILES CC(C)S(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1 Show InChI InChI=1S/C32H39Cl2N3O3S/c1-24(2)41(39,40)37-21-19-35(20-22-37)23-25-9-3-6-12-28(25)32(38)15-17-36(18-16-32)31(26-10-4-7-13-29(26)33)27-11-5-8-14-30(27)34/h3-14,24,31,38H,15-23H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3028-33 (2007) Article DOI: 10.1016/j.bmcl.2007.03.062 BindingDB Entry DOI: 10.7270/Q2Z31ZBS
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50210209 (4-(2-(aminomethyl)phenyl)-1-(phenyl(o-tolyl)methyl...) Show SMILES Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:7.8| Show InChI InChI=1S/C26H30N2O/c1-20-9-5-7-13-23(20)25(21-10-3-2-4-11-21)28-17-15-26(29,16-18-28)24-14-8-6-12-22(24)19-27/h2-14,25,29H,15-19,27H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3028-33 (2007) Article DOI: 10.1016/j.bmcl.2007.03.062 BindingDB Entry DOI: 10.7270/Q2Z31ZBS
					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))	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))	BDBM50210246 (1-(bis(2-chlorophenyl)methyl)-4-(2-((methylamino)m...) Show SMILES CNCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl Show InChI InChI=1S/C26H28Cl2N2O/c1-29-18-19-8-2-5-11-22(19)26(31)14-16-30(17-15-26)25(20-9-3-6-12-23(20)27)21-10-4-7-13-24(21)28/h2-13,25,29,31H,14-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3028-33 (2007) Article DOI: 10.1016/j.bmcl.2007.03.062 BindingDB Entry DOI: 10.7270/Q2Z31ZBS
					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))	BDBM50210214 (1-(bis(2-chlorophenyl)methyl)-4-(2-((4-(ethylsulfo...) Show SMILES CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1 Show InChI InChI=1S/C31H37Cl2N3O3S/c1-2-40(38,39)36-21-19-34(20-22-36)23-24-9-3-6-12-27(24)31(37)15-17-35(18-16-31)30(25-10-4-7-13-28(25)32)26-11-5-8-14-29(26)33/h3-14,30,37H,2,15-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3028-33 (2007) Article DOI: 10.1016/j.bmcl.2007.03.062 BindingDB Entry DOI: 10.7270/Q2Z31ZBS
					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))	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))	BDBM50295452 (CHEMBL3084677 | exo-8-[Bis(2-chlorophenyl)methyl]-...) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)C1CCCCN1C)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3| Show InChI InChI=1S/C26H32Cl2N2/c1-29-15-7-6-12-25(29)18-16-19-13-14-20(17-18)30(19)26(21-8-2-4-10-23(21)27)22-9-3-5-11-24(22)28/h2-5,8-11,18-20,25-26H,6-7,12-17H2,1H3/t19-,20-,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting				J Med Chem 52: 5323-9 (2009) Article DOI: 10.1021/jm9008218 BindingDB Entry DOI: 10.7270/Q2DV1JX2
					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))	BDBM50210211 (4-(2-(aminomethyl)phenyl)-1-((2-bromophenyl)(pheny...) Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1Br |w:15.16| Show InChI InChI=1S/C25H27BrN2O/c26-23-13-7-5-11-21(23)24(19-8-2-1-3-9-19)28-16-14-25(29,15-17-28)22-12-6-4-10-20(22)18-27/h1-13,24,29H,14-18,27H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3028-33 (2007) Article DOI: 10.1016/j.bmcl.2007.03.062 BindingDB Entry DOI: 10.7270/Q2Z31ZBS
					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
Substance-P receptor (Homo sapiens (Human))	BDBM50116078 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1	PDB MMDB 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 Curated by PDSP Ki Database									Eur J Pharmacol 450: 191-202 (2002) Article DOI: 10.1016/s0014-2999(02)02124-6 BindingDB Entry DOI: 10.7270/Q2862F1R
					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))	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))	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))	BDBM50210208 (4-(2-(aminomethyl)phenyl)-1-benzhydrylpiperidin-4-...) Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H28N2O/c26-19-22-13-7-8-14-23(22)25(28)15-17-27(18-16-25)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,24,28H,15-19,26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3028-33 (2007) Article DOI: 10.1016/j.bmcl.2007.03.062 BindingDB Entry DOI: 10.7270/Q2Z31ZBS
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50210208 (4-(2-(aminomethyl)phenyl)-1-benzhydrylpiperidin-4-...) Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H28N2O/c26-19-22-13-7-8-14-23(22)25(28)15-17-27(18-16-25)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,24,28H,15-19,26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3028-33 (2007) Article DOI: 10.1016/j.bmcl.2007.03.062 BindingDB Entry DOI: 10.7270/Q2Z31ZBS
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50051290 (CHEMBL299377 | N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-...) Show SMILES CN(C(C)=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents 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 Curated by PDSP Ki Database									Eur J Pharmacol 450: 191-202 (2002) Article DOI: 10.1016/s0014-2999(02)02124-6 BindingDB Entry DOI: 10.7270/Q2862F1R
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50259236 (8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...) Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7| Show InChI InChI=1S/C27H26Cl2N2O/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)31-19-14-15-20(31)17-27(16-19,26(30)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H2,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 2519-23 (2009) Article DOI: 10.1016/j.bmcl.2009.03.031 BindingDB Entry DOI: 10.7270/Q20V8CPS
					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))	BDBM50210245 (4-(2-(aminomethyl)phenyl)-1-(bis(2-bromophenyl)met...) Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Br)c1ccccc1Br Show InChI InChI=1S/C25H26Br2N2O/c26-22-11-5-2-8-19(22)24(20-9-3-6-12-23(20)27)29-15-13-25(30,14-16-29)21-10-4-1-7-18(21)17-28/h1-12,24,30H,13-17,28H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3028-33 (2007) Article DOI: 10.1016/j.bmcl.2007.03.062 BindingDB Entry DOI: 10.7270/Q2Z31ZBS
					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))	BDBM50210221 (1-(bis(2-chlorophenyl)methyl)-4-(2-(piperazin-1-yl...) Show SMILES OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1CN1CCNCC1 Show InChI InChI=1S/C29H33Cl2N3O/c30-26-11-5-2-8-23(26)28(24-9-3-6-12-27(24)31)34-17-13-29(35,14-18-34)25-10-4-1-7-22(25)21-33-19-15-32-16-20-33/h1-12,28,32,35H,13-21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3028-33 (2007) Article DOI: 10.1016/j.bmcl.2007.03.062 BindingDB Entry DOI: 10.7270/Q2Z31ZBS
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50259056 (8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...) Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCCC2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9| Show InChI InChI=1S/C26H31Cl2NO/c1-17-10-13-22(24(28)14-17)25(21-8-4-5-9-23(21)27)29-19-11-12-20(29)16-26(30,15-19)18-6-2-3-7-18/h4-5,8-10,13-14,18-20,25,30H,2-3,6-7,11-12,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 2519-23 (2009) Article DOI: 10.1016/j.bmcl.2009.03.031 BindingDB Entry DOI: 10.7270/Q20V8CPS
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1044 total )  |  Next  |  Last  >>

Jump to: