Compile Data Set for Download or QSAR

Found 4323 hits with Last Name = 'head' and Initial = 'j'   

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))	BDBM50004178 (Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP Curated by ChEMBL					Assay Description Inhibition of [3H]nociceptin binding to human Opioid receptor like 1				Bioorg Med Chem Lett 14: 5045-50 (2004) Article DOI: 10.1016/j.bmcl.2004.08.001 BindingDB Entry DOI: 10.7270/Q2TM7BV8
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50270877 ((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...) Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	<0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astex Therapeutics Ltd. Curated by ChEMBL					Assay Description Binding affinity to BH3 binding groove of BclXL				J Med Chem 51: 3661-80 (2008) Article DOI: 10.1021/jm8000373 BindingDB Entry DOI: 10.7270/Q2N58M4H
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM182732 (US9145408, 405) Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C([O-])=O)c1=O |r,THB:8:10:18.16.17:12.14.13| Show InChI InChI=1S/C27H35N3O3/c1-16-9-17-11-18(10-16)13-21(12-17)29-19-5-4-6-20(29)15-22(14-19)30-24-8-3-2-7-23(24)28-25(26(30)31)27(32)33/h2-3,7-8,16-22H,4-6,9-15H2,1H3,(H,32,33)/p-1/t16-,17-,18+,19-,20+,21+,22+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	-47.5	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description ORL-1 Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like receptor (ORL-1) (Recepto...				US Patent US9145408 (2015) BindingDB Entry DOI: 10.7270/Q2DJ5DD3
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM16434 (US8846929, 290) Show SMILES [H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCC1 |r,TLB:11:8:25:2.4.3| Show InChI InChI=1S/C26H35N3O3/c30-25-24(26(31)32)27-22-14-7-8-15-23(22)29(25)21-16-19-12-9-13-20(17-21)28(19)18-10-5-3-1-2-4-6-11-18/h7-8,14-15,18-21H,1-6,9-13,16-17H2,(H,31,32)/t19-,20+,21+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM133966 (US8846929, 364) Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(C(O)=O)c1=O)CC2 |r| Show InChI InChI=1S/C27H35N3O3/c1-27(2)17-8-7-16(21(27)13-17)11-12-29-18-9-10-19(29)15-20(14-18)30-23-6-4-3-5-22(23)28-24(25(30)31)26(32)33/h3-6,16-21H,7-15H2,1-2H3,(H,32,33)/t16-,17-,18-,19+,20+,21-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM11828 (US8846929, 101) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CC[C@@H](N)C3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:27:2.3| Show InChI InChI=1S/C27H39N5O/c28-19-14-15-30(18-19)26-27(33)32(25-11-7-6-10-24(25)29-26)23-16-21-12-13-22(17-23)31(21)20-8-4-2-1-3-5-9-20/h6-7,10-11,19-23H,1-5,8-9,12-18,28H2/t19-,21-,22+,23+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM16019 (US8846929, 288) Show SMILES [H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCCC1 |r,TLB:11:8:25:2.4.3| Show InChI InChI=1S/C27H37N3O3/c31-26-25(27(32)33)28-23-15-8-9-16-24(23)30(26)22-17-20-13-10-14-21(18-22)29(20)19-11-6-4-2-1-3-5-7-12-19/h8-9,15-16,19-22H,1-7,10-14,17-18H2,(H,32,33)/t20-,21+,22+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.80	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM17605 (US8846929, 298) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCC1 |r,TLB:10:7:24:2.3| Show InChI InChI=1S/C25H33N3O3/c29-24-23(25(30)31)26-21-11-7-8-12-22(21)28(24)20-15-18-13-14-19(16-20)27(18)17-9-5-3-1-2-4-6-10-17/h7-8,11-12,17-20H,1-6,9-10,13-16H2,(H,30,31)/t18-,19+,20+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM97710 (US8476271, 16 | US9145408, 362) Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,TLB:11:12:20:15.17.16,THB:20:21:28:25.24.26| Show InChI InChI=1S/C26H33N3O3/c30-25-24(26(31)32)27-22-9-1-2-10-23(22)29(25)21-14-18-7-4-8-19(15-21)28(18)20-12-16-5-3-6-17(11-16)13-20/h1-2,9-10,16-21H,3-8,11-15H2,(H,31,32)/t16?,17?,18-,19+,20?,21+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.40	-45.7	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description ORL-1 Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like receptor (ORL-1) (Recepto...				US Patent US9145408 (2015) BindingDB Entry DOI: 10.7270/Q2DJ5DD3
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM18569 (US8846929, 362) Show SMILES [H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CC2CCCC(C2)C1 |r,@:26,TLB:11:8:25:2.4.3| Show InChI InChI=1S/C26H33N3O3/c30-25-24(26(31)32)27-22-9-1-2-10-23(22)29(25)21-14-18-7-4-8-19(15-21)28(18)20-12-16-5-3-6-17(11-16)13-20/h1-2,9-10,16-21H,3-8,11-15H2,(H,31,32)/t16?,17?,18-,19+,20?,21+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM17276 (US8846929, 294) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCCC1 |r,TLB:10:7:24:2.3| Show InChI InChI=1S/C26H35N3O3/c30-25-24(26(31)32)27-22-12-8-9-13-23(22)29(25)21-16-19-14-15-20(17-21)28(19)18-10-6-4-2-1-3-5-7-11-18/h8-9,12-13,18-21H,1-7,10-11,14-17H2,(H,31,32)/t19-,20+,21+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM12729 (US8846929, 127) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)NO)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:25:2.3| Show InChI InChI=1S/C24H32N4O3/c29-23(26-31)22-24(30)28(21-11-7-6-10-20(21)25-22)19-14-17-12-13-18(15-19)27(17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-19,31H,1-5,8-9,12-15H2,(H,26,29)/t17-,18+,19+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM15777 (US8846929, 286) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C(C)(C)CC(C)(C)C |r,TLB:10:7:24:2.3| Show InChI InChI=1S/C24H33N3O3/c1-23(2,3)14-24(4,5)27-15-10-11-16(27)13-17(12-15)26-19-9-7-6-8-18(19)25-20(21(26)28)22(29)30/h6-9,15-17H,10-14H2,1-5H3,(H,29,30)/t15-,16+,17+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.80	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14381 (4-{2-[6-Amino-3-(3-cyclopentyloxy-4-methoxy-benzyl...) Show SMILES COC(=O)c1ccc(COC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)cc1 Show InChI InChI=1S/C30H35N5O5/c1-30(2,39-17-19-9-12-21(13-10-19)28(36)38-4)29-33-25-26(31)32-18-35(27(25)34-29)16-20-11-14-23(37-3)24(15-20)40-22-7-5-6-8-22/h9-15,18,22H,5-8,16-17,31H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP					Assay Description PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...				J Med Chem 48: 1237-43 (2005) Article DOI: 10.1021/jm030603w BindingDB Entry DOI: 10.7270/Q2GT5KF0
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM12256 (US8846929, 120) Show SMILES [H][C@]12CC[C@]([H])(C[C@@](C)(C1)n1c3ccccc3nc(C(=O)Nc3ccc(OC)nc3)c1=O)N2C1CCCCCCC1 |r,TLB:8:7:32:2.3,10:7:32:2.3| Show InChI InChI=1S/C31H39N5O3/c1-31(18-23-15-16-24(19-31)35(23)22-10-6-4-3-5-7-11-22)36-26-13-9-8-12-25(26)34-28(30(36)38)29(37)33-21-14-17-27(39-2)32-20-21/h8-9,12-14,17,20,22-24H,3-7,10-11,15-16,18-19H2,1-2H3,(H,33,37)/t23-,24+,31+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.10	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM133953 (US8846929, 336) Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:30,TLB:11:12:20:15.16.17| Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-13-6-7-14-22(21)28(24)20-15-18-11-8-12-19(16-20)27(18)17-9-4-2-1-3-5-10-17/h4,6-7,9,13-14,17-20H,1-3,5,8,10-12,15-16H2,(H,30,31)/b9-4-/t17?,18-,19+,20+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.60	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14376 (3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(3,4-me...) Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc3OCOc3c2)cc1OC1CCCC1 Show InChI InChI=1S/C29H33N5O5/c1-29(2,38-15-19-9-11-22-23(13-19)37-17-36-22)28-32-25-26(30)31-16-34(27(25)33-28)14-18-8-10-21(35-3)24(12-18)39-20-6-4-5-7-20/h8-13,16,20H,4-7,14-15,17,30H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP					Assay Description PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...				J Med Chem 48: 1237-43 (2005) Article DOI: 10.1021/jm030603w BindingDB Entry DOI: 10.7270/Q2GT5KF0
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50153127 (2-{1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-2...) Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CC(N)=O)S1(=O)=O |(-1.46,-9.19,;-.14,-8.41,;1.2,-9.18,;-.16,-6.87,;-1.5,-6.08,;-1.5,-4.56,;-.16,-3.77,;1.17,-4.56,;1.17,-6.08,;-.16,-2.23,;-1.51,-1.52,;-1.54,.05,;-.23,.84,;1.12,.11,;1.15,-1.45,;-.27,2.4,;-1.61,3.1,;-2.92,2.29,;-4.25,3.04,;-4.3,4.6,;-2.99,5.39,;-1.64,4.64,;-.34,5.44,;1,4.71,;2.31,5.51,;3.67,4.77,;4.98,5.58,;3.7,3.22,;1.04,3.18,;2.53,3.59,;1.45,1.68,)| Show InChI InChI=1S/C23H36N4O3S/c1-17(2)18-7-9-20(10-8-18)25-13-11-21(12-14-25)27-22-6-4-3-5-19(22)15-26(16-23(24)28)31(27,29)30/h3-6,17-18,20-21H,7-16H2,1-2H3,(H2,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP Curated by ChEMBL					Assay Description Inhibition of [3H]nociceptin binding to human Opioid receptor like 1				Bioorg Med Chem Lett 14: 5045-50 (2004) Article DOI: 10.1016/j.bmcl.2004.08.001 BindingDB Entry DOI: 10.7270/Q2TM7BV8
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM133882 (US8846929, 51) Show SMILES N[C@@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O |r| Show InChI InChI=1S/C25H37N5O/c26-19-12-15-29(18-19)24-25(31)30(23-11-7-6-10-22(23)27-24)21-13-16-28(17-14-21)20-8-4-2-1-3-5-9-20/h6-7,10-11,19-21H,1-5,8-9,12-18,26H2/t19-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14365 (8-(1-Benzyloxy-1-methyl-ethyl)-3-(3-cyclopentyloxy...) Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccccc2)cc1OC1CCCC1 Show InChI InChI=1S/C28H33N5O3/c1-28(2,35-17-19-9-5-4-6-10-19)27-31-24-25(29)30-18-33(26(24)32-27)16-20-13-14-22(34-3)23(15-20)36-21-11-7-8-12-21/h4-6,9-10,13-15,18,21H,7-8,11-12,16-17,29H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP					Assay Description PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...				J Med Chem 48: 1237-43 (2005) Article DOI: 10.1021/jm030603w BindingDB Entry DOI: 10.7270/Q2GT5KF0
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM15308 (US8846929, 266) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(C)(CC(C)(C3)C1)C2 |r,TLB:34:32:36:26.27.28,34:27:36:32.35.31,10:7:24:2.3,THB:31:32:26:29.36.28,31:29:26:32.35.34,33:32:26:29.36.28,33:32:36:26.27.28| Show InChI InChI=1S/C28H35N3O3/c1-26-11-17-12-27(2,14-26)16-28(13-17,15-26)31-18-7-8-19(31)10-20(9-18)30-22-6-4-3-5-21(22)29-23(24(30)32)25(33)34/h3-6,17-20H,7-16H2,1-2H3,(H,33,34)/t17?,18-,19+,20+,26?,27?,28?	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.10	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM133900 (US8846929, 69) Show SMILES COc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r| Show InChI InChI=1S/C24H33N3O2/c1-29-23-24(28)27(22-12-8-7-11-21(22)25-23)20-15-18-13-14-19(16-20)26(18)17-9-5-3-2-4-6-10-17/h7-8,11-12,17-20H,2-6,9-10,13-16H2,1H3/t18-,19+,20+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.20	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221972 ((2S,3S)-2-(4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)p...) Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r| Show InChI InChI=1S/C22H25FN6O2/c1-27(2)21(30)19(20(24)22(31)28-10-9-17(23)12-28)15-5-3-14(4-6-15)16-7-8-18-25-13-26-29(18)11-16/h3-8,11,13,17,19-20H,9-10,12,24H2,1-2H3/t17-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astex Therapeutics Ltd. Curated by ChEMBL					Assay Description Binding affinity to DPP4				J Med Chem 51: 3661-80 (2008) Article DOI: 10.1021/jm8000373 BindingDB Entry DOI: 10.7270/Q2N58M4H
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14379 (3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-tert...) Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C(C)(C)C)cc1OC1CCCC1 Show InChI InChI=1S/C32H41N5O3/c1-31(2,3)23-14-11-21(12-15-23)19-39-32(4,5)30-35-27-28(33)34-20-37(29(27)36-30)18-22-13-16-25(38-6)26(17-22)40-24-9-7-8-10-24/h11-17,20,24H,7-10,18-19,33H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP					Assay Description PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...				J Med Chem 48: 1237-43 (2005) Article DOI: 10.1021/jm030603w BindingDB Entry DOI: 10.7270/Q2GT5KF0
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM13043 (US8846929, 228) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCN(CC(O)=O)CC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3| Show InChI InChI=1S/C29H41N5O5/c35-26(36)18-32(19-27(37)38)15-14-30-28-29(39)34(25-11-7-6-10-24(25)31-28)23-16-21-12-13-22(17-23)33(21)20-8-4-2-1-3-5-9-20/h6-7,10-11,20-23H,1-5,8-9,12-19H2,(H,30,31)(H,35,36)(H,37,38)/t21-,22+,23+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM11758 (US8846929, 94) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(N)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:24:2.3| Show InChI InChI=1S/C24H32N4O2/c25-23(29)22-24(30)28(21-11-7-6-10-20(21)26-22)19-14-17-12-13-18(15-19)27(17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-19H,1-5,8-9,12-15H2,(H2,25,29)/t17-,18+,19+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.42	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM133918 (US8846929, 94) Show SMILES NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r| Show InChI InChI=1S/C24H32N4O2/c25-23(29)22-24(30)28(21-11-7-6-10-20(21)26-22)19-14-17-12-13-18(15-19)27(17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-19H,1-5,8-9,12-15H2,(H2,25,29)/t17-,18+,19+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.42	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM17598 (US8846929, 296) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2[C@@]1([H])C2CCCC1CCC2 |r,TLB:10:7:24:2.3,24:25:29.30.28:34.33.32| Show InChI InChI=1S/C25H31N3O3/c29-24-22(25(30)31)26-20-9-1-2-10-21(20)28(24)19-13-17-11-12-18(14-19)27(17)23-15-5-3-6-16(23)8-4-7-15/h1-2,9-10,15-19,23H,3-8,11-14H2,(H,30,31)/t15?,16?,17-,18+,19+,23?	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.80	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14370 (8-{1-[(4-Chlorobenzyl)oxy]-1-methyl-ethyl}-3-[3-cy...) Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(Cl)cc2)cc1OC1CCCC1 Show InChI InChI=1S/C28H32ClN5O3/c1-28(2,36-16-18-8-11-20(29)12-9-18)27-32-24-25(30)31-17-34(26(24)33-27)15-19-10-13-22(35-3)23(14-19)37-21-6-4-5-7-21/h8-14,17,21H,4-7,15-16,30H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP					Assay Description PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...				J Med Chem 48: 1237-43 (2005) Article DOI: 10.1021/jm030603w BindingDB Entry DOI: 10.7270/Q2GT5KF0
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14382 (4-{2-[6-Amino-3-(3-cyclopentyloxy-4-methoxy-benzyl...) Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C(N)=O)cc1OC1CCCC1 Show InChI InChI=1S/C29H34N6O4/c1-29(2,38-16-18-8-11-20(12-9-18)26(31)36)28-33-24-25(30)32-17-35(27(24)34-28)15-19-10-13-22(37-3)23(14-19)39-21-6-4-5-7-21/h8-14,17,21H,4-7,15-16,30H2,1-3H3,(H2,31,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP					Assay Description PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...				J Med Chem 48: 1237-43 (2005) Article DOI: 10.1021/jm030603w BindingDB Entry DOI: 10.7270/Q2GT5KF0
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50153124 (CHEMBL182967 | N-(2-{1-[1-(4-Isopropyl-cyclohexyl)...) Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CCNS(C)(=O)=O)S1(=O)=O |(.52,-9.66,;-.82,-8.88,;-2.15,-9.66,;-.84,-7.34,;.49,-6.56,;.49,-5.02,;-.84,-4.25,;-2.18,-5.02,;-2.18,-6.56,;-.84,-2.69,;-2.2,-1.98,;-2.23,-.41,;-.91,.39,;.44,-.35,;.48,-1.91,;-.94,1.94,;-2.29,2.65,;-3.6,1.84,;-4.94,2.59,;-4.99,4.14,;-3.69,4.93,;-2.32,4.18,;-1.02,4.99,;.34,4.26,;1.65,5.07,;3,4.33,;4.31,5.12,;5.67,4.4,;7.03,3.67,;6.78,5.47,;4.57,3.3,;.37,2.74,;1.86,3.13,;.77,1.24,)| Show InChI InChI=1S/C24H40N4O4S2/c1-19(2)20-8-10-22(11-9-20)26-15-12-23(13-16-26)28-24-7-5-4-6-21(24)18-27(34(28,31)32)17-14-25-33(3,29)30/h4-7,19-20,22-23,25H,8-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP Curated by ChEMBL					Assay Description Inhibition of [3H]nociceptin binding to human Opioid receptor like 1				Bioorg Med Chem Lett 14: 5045-50 (2004) Article DOI: 10.1016/j.bmcl.2004.08.001 BindingDB Entry DOI: 10.7270/Q2TM7BV8
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14379 (3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-tert...) Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C(C)(C)C)cc1OC1CCCC1 Show InChI InChI=1S/C32H41N5O3/c1-31(2,3)23-14-11-21(12-15-23)19-39-32(4,5)30-35-27-28(33)34-20-37(29(27)36-30)18-22-13-16-25(38-6)26(17-22)40-24-9-7-8-10-24/h11-17,20,24H,7-10,18-19,33H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP					Assay Description PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...				J Med Chem 48: 1237-43 (2005) Article DOI: 10.1021/jm030603w BindingDB Entry DOI: 10.7270/Q2GT5KF0
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14367 (3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(3-meth...) Show SMILES COc1cccc(COC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)c1 Show InChI InChI=1S/C29H35N5O4/c1-29(2,37-17-20-8-7-11-22(14-20)35-3)28-32-25-26(30)31-18-34(27(25)33-28)16-19-12-13-23(36-4)24(15-19)38-21-9-5-6-10-21/h7-8,11-15,18,21H,5-6,9-10,16-17,30H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP					Assay Description PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...				J Med Chem 48: 1237-43 (2005) Article DOI: 10.1021/jm030603w BindingDB Entry DOI: 10.7270/Q2GT5KF0
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14366 (3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(2-meth...) Show SMILES COc1ccccc1COC(C)(C)c1nc2c(N)ncn(Cc3ccc(OC)c(OC4CCCC4)c3)c2n1 Show InChI InChI=1S/C29H35N5O4/c1-29(2,37-17-20-9-5-8-12-22(20)35-3)28-32-25-26(30)31-18-34(27(25)33-28)16-19-13-14-23(36-4)24(15-19)38-21-10-6-7-11-21/h5,8-9,12-15,18,21H,6-7,10-11,16-17,30H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP					Assay Description PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...				J Med Chem 48: 1237-43 (2005) Article DOI: 10.1021/jm030603w BindingDB Entry DOI: 10.7270/Q2GT5KF0
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM14381 (4-{2-[6-Amino-3-(3-cyclopentyloxy-4-methoxy-benzyl...) Show SMILES COC(=O)c1ccc(COC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)cc1 Show InChI InChI=1S/C30H35N5O5/c1-30(2,39-17-19-9-12-21(13-10-19)28(36)38-4)29-33-25-26(31)32-18-35(27(25)34-29)16-20-11-14-23(37-3)24(15-20)40-22-7-5-6-8-22/h9-15,18,22H,5-8,16-17,31H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP					Assay Description PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...				J Med Chem 48: 1237-43 (2005) Article DOI: 10.1021/jm030603w BindingDB Entry DOI: 10.7270/Q2GT5KF0
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14381 (4-{2-[6-Amino-3-(3-cyclopentyloxy-4-methoxy-benzyl...) Show SMILES COC(=O)c1ccc(COC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)cc1 Show InChI InChI=1S/C30H35N5O5/c1-30(2,39-17-19-9-12-21(13-10-19)28(36)38-4)29-33-25-26(31)32-18-35(27(25)34-29)16-20-11-14-23(37-3)24(15-20)40-22-7-5-6-8-22/h9-15,18,22H,5-8,16-17,31H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP					Assay Description PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...				J Med Chem 48: 1237-43 (2005) Article DOI: 10.1021/jm030603w BindingDB Entry DOI: 10.7270/Q2GT5KF0
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM133915 (US8846929, 91) Show SMILES OCC(O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r| Show InChI InChI=1S/C26H38N4O3/c31-17-22(32)16-27-25-26(33)30(24-11-7-6-10-23(24)28-25)21-14-19-12-13-20(15-21)29(19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-22,31-32H,1-5,8-9,12-17H2,(H,27,28)/t19-,20+,21+,22?	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.54	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM11620 (US8846929, 91) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCC(O)CO)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:27:2.3| Show InChI InChI=1S/C26H38N4O3/c31-17-22(32)16-27-25-26(33)30(24-11-7-6-10-23(24)28-25)21-14-19-12-13-20(15-21)29(19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-22,31-32H,1-5,8-9,12-17H2,(H,27,28)/t19-,20+,21+,22?	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.54	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14368 (3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-meth...) Show SMILES COc1ccc(COC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)cc1 Show InChI InChI=1S/C29H35N5O4/c1-29(2,37-17-19-9-12-21(35-3)13-10-19)28-32-25-26(30)31-18-34(27(25)33-28)16-20-11-14-23(36-4)24(15-20)38-22-7-5-6-8-22/h9-15,18,22H,5-8,16-17,30H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP					Assay Description PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...				J Med Chem 48: 1237-43 (2005) Article DOI: 10.1021/jm030603w BindingDB Entry DOI: 10.7270/Q2GT5KF0
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14365 (8-(1-Benzyloxy-1-methyl-ethyl)-3-(3-cyclopentyloxy...) Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccccc2)cc1OC1CCCC1 Show InChI InChI=1S/C28H33N5O3/c1-28(2,35-17-19-9-5-4-6-10-19)27-31-24-25(29)30-18-33(26(24)32-27)16-20-13-14-22(34-3)23(15-20)36-21-11-7-8-12-21/h4-6,9-10,13-15,18,21H,7-8,11-12,16-17,29H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP					Assay Description PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...				J Med Chem 48: 1237-43 (2005) Article DOI: 10.1021/jm030603w BindingDB Entry DOI: 10.7270/Q2GT5KF0
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM133869 (US8846929, 38) Show SMILES O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)N1CCc2ccccc12 Show InChI InChI=1S/C29H36N4O/c34-29-28(32-21-16-22-10-6-8-14-26(22)32)30-25-13-7-9-15-27(25)33(29)24-17-19-31(20-18-24)23-11-4-2-1-3-5-12-23/h6-10,13-15,23-24H,1-5,11-12,16-21H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM97711 (US8476271, 17 | US8846929, 360 | US8846929, 361 | ...) Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,THB:19:20:27:24.23.25| Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-6-1-2-7-22(21)28(24)20-13-17-8-9-18(14-20)27(17)19-11-15-4-3-5-16(10-15)12-19/h1-2,6-7,15-20H,3-5,8-14H2,(H,30,31)/t15?,16?,17-,18+,19?,20+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.70	-43.7	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description ORL-1 Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like receptor (ORL-1) (Recepto...				US Patent US9145408 (2015) BindingDB Entry DOI: 10.7270/Q2DJ5DD3
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM97711 (US8476271, 17 | US8846929, 360 | US8846929, 361 | ...) Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,THB:19:20:27:24.23.25| Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-6-1-2-7-22(21)28(24)20-13-17-8-9-18(14-20)27(17)19-11-15-4-3-5-16(10-15)12-19/h1-2,6-7,15-20H,3-5,8-14H2,(H,30,31)/t15?,16?,17-,18+,19?,20+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM14379 (3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-tert...) Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C(C)(C)C)cc1OC1CCCC1 Show InChI InChI=1S/C32H41N5O3/c1-31(2,3)23-14-11-21(12-15-23)19-39-32(4,5)30-35-27-28(33)34-20-37(29(27)36-30)18-22-13-16-25(38-6)26(17-22)40-24-9-7-8-10-24/h11-17,20,24H,7-10,18-19,33H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP					Assay Description PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...				J Med Chem 48: 1237-43 (2005) Article DOI: 10.1021/jm030603w BindingDB Entry DOI: 10.7270/Q2GT5KF0
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14370 (8-{1-[(4-Chlorobenzyl)oxy]-1-methyl-ethyl}-3-[3-cy...) Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(Cl)cc2)cc1OC1CCCC1 Show InChI InChI=1S/C28H32ClN5O3/c1-28(2,36-16-18-8-11-20(29)12-9-18)27-32-24-25(30)31-17-34(26(24)33-27)15-19-10-13-22(35-3)23(14-19)37-21-6-4-5-7-21/h8-14,17,21H,4-7,15-16,30H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP					Assay Description PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...				J Med Chem 48: 1237-43 (2005) Article DOI: 10.1021/jm030603w BindingDB Entry DOI: 10.7270/Q2GT5KF0
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14367 (3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(3-meth...) Show SMILES COc1cccc(COC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)c1 Show InChI InChI=1S/C29H35N5O4/c1-29(2,37-17-20-8-7-11-22(14-20)35-3)28-32-25-26(30)31-18-34(27(25)33-28)16-19-12-13-23(36-4)24(15-19)38-21-9-5-6-10-21/h7-8,11-15,18,21H,5-6,9-10,16-17,30H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP					Assay Description PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...				J Med Chem 48: 1237-43 (2005) Article DOI: 10.1021/jm030603w BindingDB Entry DOI: 10.7270/Q2GT5KF0
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50153121 (1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-3,4-...) Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CNS1(=O)=O |(7.68,-3.52,;7.37,-2.01,;8.54,-.99,;5.92,-1.52,;4.78,-2.53,;3.31,-2.06,;3,-.55,;4.15,.48,;5.61,-.01,;1.55,-.05,;1.24,1.44,;-.23,1.92,;-1.37,.89,;-1.05,-.62,;.41,-1.1,;-2.82,1.37,;-3.81,.18,;-3.27,-1.27,;-4.23,-2.46,;-5.77,-2.21,;-6.31,-.77,;-5.35,.44,;-5.89,1.87,;-4.9,3.06,;-3.37,2.81,;-1.84,2.96,;-3.52,4.37,)| Show InChI InChI=1S/C21H33N3O2S/c1-16(2)17-7-9-19(10-8-17)23-13-11-20(12-14-23)24-21-6-4-3-5-18(21)15-22-27(24,25)26/h3-6,16-17,19-20,22H,7-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP Curated by ChEMBL					Assay Description Inhibition of [3H]nociceptin binding to human Opioid receptor like 1				Bioorg Med Chem Lett 14: 5045-50 (2004) Article DOI: 10.1016/j.bmcl.2004.08.001 BindingDB Entry DOI: 10.7270/Q2TM7BV8
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14385 (3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1,1-dimet...) Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)COc2cccs2)cc1OC1CCCC1 Show InChI InChI=1S/C26H31N5O3S/c1-26(2,15-33-21-9-6-12-35-21)25-29-22-23(27)28-16-31(24(22)30-25)14-17-10-11-19(32-3)20(13-17)34-18-7-4-5-8-18/h6,9-13,16,18H,4-5,7-8,14-15,27H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP					Assay Description PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...				J Med Chem 48: 1237-43 (2005) Article DOI: 10.1021/jm030603w BindingDB Entry DOI: 10.7270/Q2GT5KF0
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM133914 (US8846929, 90) Show SMILES NC(=O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r| Show InChI InChI=1S/C25H35N5O2/c26-23(31)16-27-24-25(32)30(22-11-7-6-10-21(22)28-24)20-14-18-12-13-19(15-20)29(18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-20H,1-5,8-9,12-16H2,(H2,26,31)(H,27,28)/t18-,19+,20+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.42	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM133920 (US8846929, 102) Show SMILES OC[C@H](O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r| Show InChI InChI=1S/C26H38N4O3/c31-17-22(32)16-27-25-26(33)30(24-11-7-6-10-23(24)28-25)21-14-19-12-13-20(15-21)29(19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-22,31-32H,1-5,8-9,12-17H2,(H,27,28)/t19-,20+,21+,22-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair

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