Compile Data Set for Download or QSAR

Found 987 hits with Last Name = 'suda' and Initial = 'h'   

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))	BDBM26976 (2-benzoylquinazoline analogue, (1R, 2S)-17 | N-(4-...) Show SMILES [#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@H]-3\[#7]=[#6](/[#7])-[#7])c2c1 |r| Show InChI InChI=1S/C23H26ClN7O/c1-13-6-11-17-16(12-13)20(27-18-4-2-3-5-19(18)28-22(25)26)30-23(29-17)31-21(32)14-7-9-15(24)10-8-14/h6-12,18-19H,2-5H2,1H3,(H4,25,26,28)(H2,27,29,30,31,32)/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	-50.5	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26975 (2-benzoylquinazoline analogue, (rac)-17 | N-{4-[(2...) Show SMILES [#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3\[#7]=[#6](/[#7])-[#7])c2c1 Show InChI InChI=1S/C23H26ClN7O/c1-13-6-11-17-16(12-13)20(27-18-4-2-3-5-19(18)28-22(25)26)30-23(29-17)31-21(32)14-7-9-15(24)10-8-14/h6-12,18-19H,2-5H2,1H3,(H4,25,26,28)(H2,27,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	-49.5	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha				Bioorg Med Chem Lett 11: 1839-42 (2001) BindingDB Entry DOI: 10.7270/Q29P325H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nociceptin receptor (Homo sapiens (Human))	BDBM26973 ((1R,2S)-2-({2-[(E)-2-(4-chlorophenyl)ethenyl]-6-me...) Show SMILES [#6]-c1ccc2nc(-[#6]=[#6]-c3ccc(Cl)cc3)nc(-[#7]-[#6@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@H]-3\[#7]=[#6](\[#7])-[#7])c2c1 |r,w:7.6| Show InChI InChI=1S/C24H27ClN6/c1-15-6-12-19-18(14-15)23(29-20-4-2-3-5-21(20)30-24(26)27)31-22(28-19)13-9-16-7-10-17(25)11-8-16/h6-14,20-21H,2-5H2,1H3,(H4,26,27,30)(H,28,29,31)/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	43	-42.0	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26974 (4-({2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquin...) Show SMILES Cc1ccc2nc(C=Cc3ccc(Cl)cc3)nc(N[C@H]3CC[C@H](CC3)N=C(N)N)c2c1 |r,w:7.6,wD:19.19,22.26,(-5.59,4.63,;-4.26,3.86,;-4.26,2.32,;-2.92,1.55,;-1.59,2.32,;-.26,1.55,;1.08,2.32,;2.41,1.55,;3.74,2.32,;5.08,1.55,;5.13,.01,;6.49,-.71,;7.8,.1,;9.16,-.62,;7.74,1.64,;6.38,2.37,;1.08,3.86,;-.26,4.63,;-.26,6.17,;1.08,6.94,;2.41,6.17,;3.74,6.94,;3.74,8.48,;2.41,9.25,;1.08,8.48,;5.08,9.25,;6.41,8.48,;6.41,6.94,;7.74,9.25,;-1.59,3.86,;-2.92,4.63,)| Show InChI InChI=1S/C24H27ClN6/c1-15-2-12-21-20(14-15)23(28-18-8-10-19(11-9-18)29-24(26)27)31-22(30-21)13-5-16-3-6-17(25)7-4-16/h2-7,12-14,18-19H,8-11H2,1H3,(H4,26,27,29)(H,28,30,31)/t18-,19+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26971 (3-[6-({2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylq...) Show SMILES [#6]-c1ccc2nc(-[#6]=[#6]-c3ccc(Cl)cc3)nc(-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])c2c1 |w:7.6| Show InChI InChI=1S/C24H29ClN6/c1-17-6-12-21-20(16-17)23(28-14-4-2-3-5-15-29-24(26)27)31-22(30-21)13-9-18-7-10-19(25)11-8-18/h6-13,16H,2-5,14-15H2,1H3,(H4,26,27,29)(H,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	89	-40.2	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26960 (4-aminoquinazoline derivative, 7c | N-(6-aminohexy...) Show SMILES Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCCCCCN)c2c1 Show InChI InChI=1S/C23H27ClN4/c1-17-6-12-21-20(16-17)23(26-15-5-3-2-4-14-25)28-22(27-21)13-9-18-7-10-19(24)11-8-18/h6-13,16H,2-5,14-15,25H2,1H3,(H,26,27,28)/b13-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26956 (N-(6-aminohexyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]...) Show SMILES NCCCCCCNc1nc(\C=C\c2ccc(Cl)cc2)nc2cc3ccccc3cc12 Show InChI InChI=1S/C26H27ClN4/c27-22-12-9-19(10-13-22)11-14-25-30-24-18-21-8-4-3-7-20(21)17-23(24)26(31-25)29-16-6-2-1-5-15-28/h3-4,7-14,17-18H,1-2,5-6,15-16,28H2,(H,29,30,31)/b14-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	133	-39.2	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26977 (2-benzoylquinazoline analogue, (1S, 2R)-17 | N-(4-...) Show SMILES [#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6@@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@@H]-3\[#7]=[#6](/[#7])-[#7])c2c1 |r| Show InChI InChI=1S/C23H26ClN7O/c1-13-6-11-17-16(12-13)20(27-18-4-2-3-5-19(18)28-22(25)26)30-23(29-17)31-21(32)14-7-9-15(24)10-8-14/h6-12,18-19H,2-5H2,1H3,(H4,25,26,28)(H2,27,29,30,31,32)/t18-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	140	-39.1	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26968 ((1S,2R)-1-N-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-m...) Show SMILES Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@H]3N)c2c1 |r| Show InChI InChI=1S/C23H25ClN4/c1-15-6-12-20-18(14-15)23(27-21-5-3-2-4-19(21)25)28-22(26-20)13-9-16-7-10-17(24)11-8-16/h6-14,19,21H,2-5,25H2,1H3,(H,26,27,28)/b13-9+/t19-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26974 (4-({2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquin...) Show SMILES Cc1ccc2nc(C=Cc3ccc(Cl)cc3)nc(N[C@H]3CC[C@H](CC3)N=C(N)N)c2c1 |r,w:7.6,wD:19.19,22.26,(-5.59,4.63,;-4.26,3.86,;-4.26,2.32,;-2.92,1.55,;-1.59,2.32,;-.26,1.55,;1.08,2.32,;2.41,1.55,;3.74,2.32,;5.08,1.55,;5.13,.01,;6.49,-.71,;7.8,.1,;9.16,-.62,;7.74,1.64,;6.38,2.37,;1.08,3.86,;-.26,4.63,;-.26,6.17,;1.08,6.94,;2.41,6.17,;3.74,6.94,;3.74,8.48,;2.41,9.25,;1.08,8.48,;5.08,9.25,;6.41,8.48,;6.41,6.94,;7.74,9.25,;-1.59,3.86,;-2.92,4.63,)| Show InChI InChI=1S/C24H27ClN6/c1-15-2-12-21-20(14-15)23(28-18-8-10-19(11-9-18)29-24(26)27)31-22(30-21)13-5-16-3-6-17(25)7-4-16/h2-7,12-14,18-19H,8-11H2,1H3,(H4,26,27,29)(H,28,30,31)/t18-,19+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	152	-38.9	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26972 (3-[4-({2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylq...) Show SMILES [#6]-c1ccc2nc(-[#6]=[#6]-c3ccc(Cl)cc3)nc(-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])c2c1 |w:7.6| Show InChI InChI=1S/C22H25ClN6/c1-15-4-10-19-18(14-15)21(26-12-2-3-13-27-22(24)25)29-20(28-19)11-7-16-5-8-17(23)9-6-16/h4-11,14H,2-3,12-13H2,1H3,(H4,24,25,27)(H,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	-38.8	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26969 (1-N-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylqui...) Show SMILES Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(N[C@@H]3CC[C@H](N)CC3)c2c1 |r,wD:19.19,22.23,(-5.59,4.63,;-4.26,3.86,;-4.26,2.32,;-2.92,1.55,;-1.59,2.32,;-.26,1.55,;1.08,2.32,;2.41,1.55,;3.74,2.32,;5.08,1.55,;5.13,.01,;6.49,-.71,;7.8,.1,;9.16,-.62,;7.74,1.64,;6.38,2.37,;1.08,3.86,;-.26,4.63,;-.26,6.17,;1.08,6.94,;1,8.48,;2.29,9.32,;3.66,8.61,;4.96,9.45,;3.74,7.08,;2.45,6.24,;-1.59,3.86,;-2.92,4.63,)| Show InChI InChI=1S/C23H25ClN4/c1-15-2-12-21-20(14-15)23(26-19-10-8-18(25)9-11-19)28-22(27-21)13-5-16-3-6-17(24)7-4-16/h2-7,12-14,18-19H,8-11,25H2,1H3,(H,26,27,28)/b13-5+/t18-,19+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	162	-38.8	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26959 (4-aminoquinazoline derivative, 7b | N-(6-aminohexy...) Show SMILES Cc1cccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCCCCCN)c12 Show InChI InChI=1S/C23H27ClN4/c1-17-7-6-8-20-22(17)23(26-16-5-3-2-4-15-25)28-21(27-20)14-11-18-9-12-19(24)13-10-18/h6-14H,2-5,15-16,25H2,1H3,(H,26,27,28)/b14-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26958 (4-aminoquinazoline derivative, 7a | N-(6-aminohexy...) Show SMILES NCCCCCCNc1nc(\C=C\c2ccc(Cl)cc2)nc2ccccc12 Show InChI InChI=1S/C22H25ClN4/c23-18-12-9-17(10-13-18)11-14-21-26-20-8-4-3-7-19(20)22(27-21)25-16-6-2-1-5-15-24/h3-4,7-14H,1-2,5-6,15-16,24H2,(H,25,26,27)/b14-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26967 ((1S,2S)-1-N-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-m...) Show SMILES Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@@H]3N)c2c1 |r| Show InChI InChI=1S/C23H25ClN4/c1-15-6-12-20-18(14-15)23(27-21-5-3-2-4-19(21)25)28-22(26-20)13-9-16-7-10-17(24)11-8-16/h6-14,19,21H,2-5,25H2,1H3,(H,26,27,28)/b13-9+/t19-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26965 (4-aminoquinazoline derivative, 7h | N-(4-aminobuty...) Show SMILES Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCCCN)c2c1 Show InChI InChI=1S/C21H23ClN4/c1-15-4-10-19-18(14-15)21(24-13-3-2-12-23)26-20(25-19)11-7-16-5-8-17(22)9-6-16/h4-11,14H,2-3,12-13,23H2,1H3,(H,24,25,26)/b11-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	194	-38.3	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26968 ((1S,2R)-1-N-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-m...) Show SMILES Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@H]3N)c2c1 |r| Show InChI InChI=1S/C23H25ClN4/c1-15-6-12-20-18(14-15)23(27-21-5-3-2-4-19(21)25)28-22(26-20)13-9-16-7-10-17(24)11-8-16/h6-14,19,21H,2-5,25H2,1H3,(H,26,27,28)/b13-9+/t19-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	200	-38.2	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26961 (4-aminoquinazoline derivative, 7d | N-(6-aminohexy...) Show SMILES Cc1ccc2c(NCCCCCCN)nc(\C=C\c3ccc(Cl)cc3)nc2c1 Show InChI InChI=1S/C23H27ClN4/c1-17-6-12-20-21(16-17)27-22(13-9-18-7-10-19(24)11-8-18)28-23(20)26-15-5-3-2-4-14-25/h6-13,16H,2-5,14-15,25H2,1H3,(H,26,27,28)/b13-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26973 ((1R,2S)-2-({2-[(E)-2-(4-chlorophenyl)ethenyl]-6-me...) Show SMILES [#6]-c1ccc2nc(-[#6]=[#6]-c3ccc(Cl)cc3)nc(-[#7]-[#6@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@H]-3\[#7]=[#6](\[#7])-[#7])c2c1 |r,w:7.6| Show InChI InChI=1S/C24H27ClN6/c1-15-6-12-19-18(14-15)23(29-20-4-2-3-5-21(20)30-24(26)27)31-22(28-19)13-9-16-7-10-17(25)11-8-16/h6-14,20-21H,2-5H2,1H3,(H4,26,27,30)(H,28,29,31)/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26960 (4-aminoquinazoline derivative, 7c | N-(6-aminohexy...) Show SMILES Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCCCCCN)c2c1 Show InChI InChI=1S/C23H27ClN4/c1-17-6-12-21-20(16-17)23(26-15-5-3-2-4-14-25)28-22(27-21)13-9-18-7-10-19(24)11-8-18/h6-13,16H,2-5,14-15,25H2,1H3,(H,26,27,28)/b13-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	232	-37.9	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26966 (4-aminoquinazoline derivative, 7i | N-(2-aminoethy...) Show SMILES Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCN)c2c1 Show InChI InChI=1S/C19H19ClN4/c1-13-2-8-17-16(12-13)19(22-11-10-21)24-18(23-17)9-5-14-3-6-15(20)7-4-14/h2-9,12H,10-11,21H2,1H3,(H,22,23,24)/b9-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26965 (4-aminoquinazoline derivative, 7h | N-(4-aminobuty...) Show SMILES Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCCCN)c2c1 Show InChI InChI=1S/C21H23ClN4/c1-15-4-10-19-18(14-15)21(24-13-3-2-12-23)26-20(25-19)11-7-16-5-8-17(22)9-6-16/h4-11,14H,2-3,12-13,23H2,1H3,(H,24,25,26)/b11-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26977 (2-benzoylquinazoline analogue, (1S, 2R)-17 | N-(4-...) Show SMILES [#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6@@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@@H]-3\[#7]=[#6](/[#7])-[#7])c2c1 |r| Show InChI InChI=1S/C23H26ClN7O/c1-13-6-11-17-16(12-13)20(27-18-4-2-3-5-19(18)28-22(25)26)30-23(29-17)31-21(32)14-7-9-15(24)10-8-14/h6-12,18-19H,2-5H2,1H3,(H4,25,26,28)(H2,27,29,30,31,32)/t18-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26963 (4-aminoquinazoline derivative, 7f | N-(6-aminohexy...) Show SMILES CC(C)(C)c1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCCCCCN)c2c1 Show InChI InChI=1S/C26H33ClN4/c1-26(2,3)20-11-14-23-22(18-20)25(29-17-7-5-4-6-16-28)31-24(30-23)15-10-19-8-12-21(27)13-9-19/h8-15,18H,4-7,16-17,28H2,1-3H3,(H,29,30,31)/b15-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	292	-37.3	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26964 (4-aminoquinazoline derivative, 7g | N-(6-aminohexy...) Show SMILES NCCCCCCNc1nc(\C=C\c2ccc(Cl)cc2)nc2ccc(Cl)cc12 Show InChI InChI=1S/C22H24Cl2N4/c23-17-8-5-16(6-9-17)7-12-21-27-20-11-10-18(24)15-19(20)22(28-21)26-14-4-2-1-3-13-25/h5-12,15H,1-4,13-14,25H2,(H,26,27,28)/b12-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	294	-37.3	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26970 (1-N-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylqui...) Show SMILES Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(N[C@H]3CC[C@H](N)CC3)c2c1 |r,wU:22.23,wD:19.19,(-5.59,4.63,;-4.26,3.86,;-4.26,2.32,;-2.92,1.55,;-1.59,2.32,;-.26,1.55,;1.08,2.32,;2.41,1.55,;3.74,2.32,;5.08,1.55,;5.13,.01,;6.49,-.71,;7.8,.1,;9.16,-.62,;7.74,1.64,;6.38,2.37,;1.08,3.86,;-.26,4.63,;-.26,6.17,;1.08,6.94,;2.45,6.24,;3.74,7.08,;3.66,8.61,;4.96,9.45,;2.29,9.32,;1,8.48,;-1.59,3.86,;-2.92,4.63,)| Show InChI InChI=1S/C23H25ClN4/c1-15-2-12-21-20(14-15)23(26-19-10-8-18(25)9-11-19)28-22(27-21)13-5-16-3-6-17(24)7-4-16/h2-7,12-14,18-19H,8-11,25H2,1H3,(H,26,27,28)/b13-5+/t18-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM23420 (7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha				Bioorg Med Chem Lett 11: 1839-42 (2001) BindingDB Entry DOI: 10.7270/Q29P325H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26971 (3-[6-({2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylq...) Show SMILES [#6]-c1ccc2nc(-[#6]=[#6]-c3ccc(Cl)cc3)nc(-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])c2c1 |w:7.6| Show InChI InChI=1S/C24H29ClN6/c1-17-6-12-21-20(16-17)23(28-14-4-2-3-5-15-29-24(26)27)31-22(30-21)13-9-18-7-10-19(25)11-8-18/h6-13,16H,2-5,14-15H2,1H3,(H4,26,27,29)(H,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50101979 (2,6-Dihydroxyanthraquinone | 2,6-dihydroxy-9,10-an...) Show SMILES Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1 Show InChI InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha				Bioorg Med Chem Lett 11: 1839-42 (2001) BindingDB Entry DOI: 10.7270/Q29P325H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26975 (2-benzoylquinazoline analogue, (rac)-17 | N-{4-[(2...) Show SMILES [#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3\[#7]=[#6](/[#7])-[#7])c2c1 Show InChI InChI=1S/C23H26ClN7O/c1-13-6-11-17-16(12-13)20(27-18-4-2-3-5-19(18)28-22(25)26)30-23(29-17)31-21(32)14-7-9-15(24)10-8-14/h6-12,18-19H,2-5H2,1H3,(H4,25,26,28)(H2,27,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26976 (2-benzoylquinazoline analogue, (1R, 2S)-17 | N-(4-...) Show SMILES [#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@H]-3\[#7]=[#6](/[#7])-[#7])c2c1 |r| Show InChI InChI=1S/C23H26ClN7O/c1-13-6-11-17-16(12-13)20(27-18-4-2-3-5-19(18)28-22(25)26)30-23(29-17)31-21(32)14-7-9-15(24)10-8-14/h6-12,18-19H,2-5H2,1H3,(H4,25,26,28)(H2,27,29,30,31,32)/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha				Bioorg Med Chem Lett 11: 1839-42 (2001) BindingDB Entry DOI: 10.7270/Q29P325H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26964 (4-aminoquinazoline derivative, 7g | N-(6-aminohexy...) Show SMILES NCCCCCCNc1nc(\C=C\c2ccc(Cl)cc2)nc2ccc(Cl)cc12 Show InChI InChI=1S/C22H24Cl2N4/c23-17-8-5-16(6-9-17)7-12-21-27-20-11-10-18(24)15-19(20)22(28-21)26-14-4-2-1-3-13-25/h5-12,15H,1-4,13-14,25H2,(H,26,27,28)/b12-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26963 (4-aminoquinazoline derivative, 7f | N-(6-aminohexy...) Show SMILES CC(C)(C)c1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCCCCCN)c2c1 Show InChI InChI=1S/C26H33ClN4/c1-26(2,3)20-11-14-23-22(18-20)25(29-17-7-5-4-6-16-28)31-24(30-23)15-10-19-8-12-21(27)13-9-19/h8-15,18H,4-7,16-17,28H2,1-3H3,(H,29,30,31)/b15-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26958 (4-aminoquinazoline derivative, 7a | N-(6-aminohexy...) Show SMILES NCCCCCCNc1nc(\C=C\c2ccc(Cl)cc2)nc2ccccc12 Show InChI InChI=1S/C22H25ClN4/c23-18-12-9-17(10-13-18)11-14-21-26-20-8-4-3-7-19(20)22(27-21)25-16-6-2-1-5-15-24/h3-4,7-14H,1-2,5-6,15-16,24H2,(H,25,26,27)/b14-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	383	-36.6	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26969 (1-N-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylqui...) Show SMILES Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(N[C@@H]3CC[C@H](N)CC3)c2c1 |r,wD:19.19,22.23,(-5.59,4.63,;-4.26,3.86,;-4.26,2.32,;-2.92,1.55,;-1.59,2.32,;-.26,1.55,;1.08,2.32,;2.41,1.55,;3.74,2.32,;5.08,1.55,;5.13,.01,;6.49,-.71,;7.8,.1,;9.16,-.62,;7.74,1.64,;6.38,2.37,;1.08,3.86,;-.26,4.63,;-.26,6.17,;1.08,6.94,;1,8.48,;2.29,9.32,;3.66,8.61,;4.96,9.45,;3.74,7.08,;2.45,6.24,;-1.59,3.86,;-2.92,4.63,)| Show InChI InChI=1S/C23H25ClN4/c1-15-2-12-21-20(14-15)23(26-19-10-8-18(25)9-11-19)28-22(27-21)13-5-16-3-6-17(24)7-4-16/h2-7,12-14,18-19H,8-11,25H2,1H3,(H,26,27,28)/b13-5+/t18-,19+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26956 (N-(6-aminohexyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]...) Show SMILES NCCCCCCNc1nc(\C=C\c2ccc(Cl)cc2)nc2cc3ccccc3cc12 Show InChI InChI=1S/C26H27ClN4/c27-22-12-9-19(10-13-22)11-14-25-30-24-18-21-8-4-3-7-20(21)17-23(24)26(31-25)29-16-6-2-1-5-15-28/h3-4,7-14,17-18H,1-2,5-6,15-16,28H2,(H,29,30,31)/b14-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26961 (4-aminoquinazoline derivative, 7d | N-(6-aminohexy...) Show SMILES Cc1ccc2c(NCCCCCCN)nc(\C=C\c3ccc(Cl)cc3)nc2c1 Show InChI InChI=1S/C23H27ClN4/c1-17-6-12-20-21(16-17)27-22(13-9-18-7-10-19(24)11-8-18)28-23(20)26-15-5-3-2-4-14-25/h6-13,16H,2-5,14-15,25H2,1H3,(H,26,27,28)/b13-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	420	-36.4	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM26976 (2-benzoylquinazoline analogue, (1R, 2S)-17 | N-(4-...) Show SMILES [#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@H]-3\[#7]=[#6](/[#7])-[#7])c2c1 |r| Show InChI InChI=1S/C23H26ClN7O/c1-13-6-11-17-16(12-13)20(27-18-4-2-3-5-19(18)28-22(25)26)30-23(29-17)31-21(32)14-7-9-15(24)10-8-14/h6-12,18-19H,2-5H2,1H3,(H4,25,26,28)(H2,27,29,30,31,32)/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26967 ((1S,2S)-1-N-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-m...) Show SMILES Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@@H]3N)c2c1 |r| Show InChI InChI=1S/C23H25ClN4/c1-15-6-12-20-18(14-15)23(27-21-5-3-2-4-19(21)25)28-22(26-20)13-9-16-7-10-17(24)11-8-16/h6-14,19,21H,2-5,25H2,1H3,(H,26,27,28)/b13-9+/t19-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	538	-35.8	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26962 (4-aminoquinazoline derivative, 7e | N-(6-aminohexy...) Show SMILES Cc1cccc2c(NCCCCCCN)nc(\C=C\c3ccc(Cl)cc3)nc12 Show InChI InChI=1S/C23H27ClN4/c1-17-7-6-8-20-22(17)27-21(14-11-18-9-12-19(24)13-10-18)28-23(20)26-16-5-3-2-4-15-25/h6-14H,2-5,15-16,25H2,1H3,(H,26,27,28)/b14-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	653	-35.3	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50101979 (2,6-Dihydroxyanthraquinone | 2,6-dihydroxy-9,10-an...) Show SMILES Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1 Show InChI InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of binding of 17 beta-estradiol to human Estrogen receptor beta				Bioorg Med Chem Lett 11: 1839-42 (2001) BindingDB Entry DOI: 10.7270/Q29P325H
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM11318 (1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...) Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha				Bioorg Med Chem Lett 11: 1839-42 (2001) BindingDB Entry DOI: 10.7270/Q29P325H
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26970 (1-N-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylqui...) Show SMILES Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(N[C@H]3CC[C@H](N)CC3)c2c1 |r,wU:22.23,wD:19.19,(-5.59,4.63,;-4.26,3.86,;-4.26,2.32,;-2.92,1.55,;-1.59,2.32,;-.26,1.55,;1.08,2.32,;2.41,1.55,;3.74,2.32,;5.08,1.55,;5.13,.01,;6.49,-.71,;7.8,.1,;9.16,-.62,;7.74,1.64,;6.38,2.37,;1.08,3.86,;-.26,4.63,;-.26,6.17,;1.08,6.94,;2.45,6.24,;3.74,7.08,;3.66,8.61,;4.96,9.45,;2.29,9.32,;1,8.48,;-1.59,3.86,;-2.92,4.63,)| Show InChI InChI=1S/C23H25ClN4/c1-15-2-12-21-20(14-15)23(26-19-10-8-18(25)9-11-19)28-22(27-21)13-5-16-3-6-17(24)7-4-16/h2-7,12-14,18-19H,8-11,25H2,1H3,(H,26,27,28)/b13-5+/t18-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	795	-34.8	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26959 (4-aminoquinazoline derivative, 7b | N-(6-aminohexy...) Show SMILES Cc1cccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCCCCCN)c12 Show InChI InChI=1S/C23H27ClN4/c1-17-7-6-8-20-22(17)23(26-16-5-3-2-4-15-25)28-21(27-20)14-11-18-9-12-19(24)13-10-18/h6-14H,2-5,15-16,25H2,1H3,(H,26,27,28)/b14-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	808	-34.8	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM26962 (4-aminoquinazoline derivative, 7e | N-(6-aminohexy...) Show SMILES Cc1cccc2c(NCCCCCCN)nc(\C=C\c3ccc(Cl)cc3)nc12 Show InChI InChI=1S/C23H27ClN4/c1-17-7-6-8-20-22(17)27-21(14-11-18-9-12-19(24)13-10-18)28-23(20)26-16-5-3-2-4-15-25/h6-14H,2-5,15-16,25H2,1H3,(H,26,27,28)/b14-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM26966 (4-aminoquinazoline derivative, 7i | N-(2-aminoethy...) Show SMILES Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCN)c2c1 Show InChI InChI=1S/C19H19ClN4/c1-13-2-8-17-16(12-13)19(22-11-10-21)24-18(23-17)9-5-14-3-6-15(20)7-4-14/h2-9,12H,10-11,21H2,1H3,(H,22,23,24)/b9-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	972	-34.3	n/a	n/a	n/a	n/a	n/a	7.8	25
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM26977 (2-benzoylquinazoline analogue, (1S, 2R)-17 | N-(4-...) Show SMILES [#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6@@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@@H]-3\[#7]=[#6](/[#7])-[#7])c2c1 |r| Show InChI InChI=1S/C23H26ClN7O/c1-13-6-11-17-16(12-13)20(27-18-4-2-3-5-19(18)28-22(25)26)30-23(29-17)31-21(32)14-7-9-15(24)10-8-14/h6-12,18-19H,2-5H2,1H3,(H4,25,26,28)(H2,27,29,30,31,32)/t18-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...				Bioorg Med Chem 17: 119-32 (2009) Article DOI: 10.1016/j.bmc.2008.11.012 BindingDB Entry DOI: 10.7270/Q2Q52MX5
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM11318 (1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...) Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of binding of 17 beta-estradiol to human Estrogen receptor beta				Bioorg Med Chem Lett 11: 1839-42 (2001) BindingDB Entry DOI: 10.7270/Q29P325H
					More data for this Ligand-Target Pair

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