Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 39 entry = 50039364   

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))	BDBM50335573 ((1-{4-[2-(3,3-Dimethylpiperazin-1-yl)-1H-benzimida...) Show SMILES CC1(C)CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1 Show InChI InChI=1S/C27H43N5O/c1-26(2)20-30(19-16-28-26)25-29-23-10-6-7-11-24(23)32(25)22-12-17-31(18-13-22)27(21-33)14-8-4-3-5-9-15-27/h6-7,10-11,22,28,33H,3-5,8-9,12-21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human NOP receptor expressed in HEK293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...				Bioorg Med Chem 18: 7675-99 (2010) Article DOI: 10.1016/j.bmc.2010.07.034 BindingDB Entry DOI: 10.7270/Q2DF6S69
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50335575 ((1-{4-[2-(3-Chloro-4-fluorophenyl)-1H-benzimidazol...) Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C27H33ClFN3O/c28-22-18-20(10-11-23(22)29)26-30-24-8-4-5-9-25(24)32(26)21-12-16-31(17-13-21)27(19-33)14-6-2-1-3-7-15-27/h4-5,8-11,18,21,33H,1-3,6-7,12-17,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.90	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human NOP receptor expressed in HEK293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...				Bioorg Med Chem 18: 7675-99 (2010) Article DOI: 10.1016/j.bmc.2010.07.034 BindingDB Entry DOI: 10.7270/Q2DF6S69
					More data for this Ligand-Target Pair
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	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human NOP receptor expressed in HEK293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...				Bioorg Med Chem 18: 7675-99 (2010) Article DOI: 10.1016/j.bmc.2010.07.034 BindingDB Entry DOI: 10.7270/Q2DF6S69
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50335568 ((1-{4-[2-(3-Methylpiperazin-1-yl)-1H-benzimidazol-...) Show SMILES CC1CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1 Show InChI InChI=1S/C26H41N5O/c1-21-19-29(18-15-27-21)25-28-23-9-5-6-10-24(23)31(25)22-11-16-30(17-12-22)26(20-32)13-7-3-2-4-8-14-26/h5-6,9-10,21-22,27,32H,2-4,7-8,11-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human NOP receptor expressed in HEK293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...				Bioorg Med Chem 18: 7675-99 (2010) Article DOI: 10.1016/j.bmc.2010.07.034 BindingDB Entry DOI: 10.7270/Q2DF6S69
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50335567 ((1-{4-[2-(4-Methylpiperazin-1-yl)-1H-benzimidazol-...) Show SMILES CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1 Show InChI InChI=1S/C26H41N5O/c1-28-17-19-29(20-18-28)25-27-23-9-5-6-10-24(23)31(25)22-11-15-30(16-12-22)26(21-32)13-7-3-2-4-8-14-26/h5-6,9-10,22,32H,2-4,7-8,11-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human NOP receptor expressed in HEK293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...				Bioorg Med Chem 18: 7675-99 (2010) Article DOI: 10.1016/j.bmc.2010.07.034 BindingDB Entry DOI: 10.7270/Q2DF6S69
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50335576 ((1-{4-[2-(3-Chloro-4-fluorophenyl)-1H-benzimidazol...) Show SMILES OCC1(CCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C25H29ClFN3O/c26-20-16-18(8-9-21(20)27)24-28-22-6-2-3-7-23(22)30(24)19-10-14-29(15-11-19)25(17-31)12-4-1-5-13-25/h2-3,6-9,16,19,31H,1,4-5,10-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human NOP receptor expressed in HEK293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...				Bioorg Med Chem 18: 7675-99 (2010) Article DOI: 10.1016/j.bmc.2010.07.034 BindingDB Entry DOI: 10.7270/Q2DF6S69
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50335569 (1-{1-[1-(Hydroxymethyl)cyclooctyl]piperidin-4-yl}-...) Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C21H31N3O2/c25-16-21(12-6-2-1-3-7-13-21)23-14-10-17(11-15-23)24-19-9-5-4-8-18(19)22-20(24)26/h4-5,8-9,17,25H,1-3,6-7,10-16H2,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human NOP receptor expressed in HEK293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...				Bioorg Med Chem 18: 7675-99 (2010) Article DOI: 10.1016/j.bmc.2010.07.034 BindingDB Entry DOI: 10.7270/Q2DF6S69
					More data for this Ligand-Target Pair