Compile Data Set for Download or QSAR

Found 374 hits with Last Name = 'ichikawa' and Initial = 's'   

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
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004276 (1-Isopropyl-2-oxo-1,2-dihydro-quinoline-4-carboxyl...) Show SMILES CC(C)n1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:16:17:24:20.21| Show InChI InChI=1S/C21H26N2O3/c1-13(2)23-19-7-5-4-6-17(19)18(12-20(23)24)21(25)26-16-10-14-8-9-15(11-16)22(14)3/h4-7,12-16H,8-11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50126170 (CHEMBL3629678) Show SMILES CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1\C=C\CCNC(=O)\C=C\[C@@H](NC1=O)C(C)C |r,t:25,32| Show InChI InChI=1S/C32H48N4O4/c1-4-5-6-7-8-9-13-19-30(38)34-28(23-25-16-11-10-12-17-25)32(40)36-27-18-14-15-22-33-29(37)21-20-26(24(2)3)35-31(27)39/h10-12,14,16-18,20-21,24,26-28H,4-9,13,15,19,22-23H2,1-3H3,(H,33,37)(H,34,38)(H,35,39)(H,36,40)/b18-14+,21-20+/t26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of proteasome beta-5 (unknown origin)				Bioorg Med Chem Lett 25: 4872-7 (2015) Article DOI: 10.1016/j.bmcl.2015.06.015 BindingDB Entry DOI: 10.7270/Q2028TBR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50044431 (8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C12CC3CC1CC(C2)C3 |TLB:20:19:24:21.22,THB:20:21:24:18.19.25| Show InChI InChI=1S/C20H28N4OS/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of N6-[3H]cyclohexyladenosine binding to adenosine A1 receptor from rat cortical membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50044429 (3-[2-(4-Amino-phenyl)-ethyl]-8-cyclopentyl-1-propy...) Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C21H27N5O2/c1-2-12-26-20(27)17-19(24-18(23-17)15-5-3-4-6-15)25(21(26)28)13-11-14-7-9-16(22)10-8-14/h7-10,15H,2-6,11-13,22H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from rat forebrain membranes with N6-[3H]- cyclohexyladenosine				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004292 (2-Isopropoxy-quinoline-4-carboxylic acid 8-methyl-...) Show SMILES CC(C)Oc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C21H26N2O3/c1-13(2)25-20-12-18(17-6-4-5-7-19(17)22-20)21(24)26-16-10-14-8-9-15(11-16)23(14)3/h4-7,12-16H,8-11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004279 (2-Propoxy-quinoline-4-carboxylic acid 8-methyl-8-a...) Show SMILES CCCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C21H26N2O3/c1-3-10-25-20-13-18(17-6-4-5-7-19(17)22-20)21(24)26-16-11-14-8-9-15(12-16)23(14)2/h4-7,13-16H,3,8-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004288 (2-Butoxy-quinoline-4-carboxylic acid 8-methyl-8-az...) Show SMILES CCCCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:10:11:18:14.15| Show InChI InChI=1S/C22H28N2O3/c1-3-4-11-26-21-14-19(18-7-5-6-8-20(18)23-21)22(25)27-17-12-15-9-10-16(13-17)24(15)2/h5-8,14-17H,3-4,9-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004284 (2-Isobutoxy-quinoline-4-carboxylic acid 8-methyl-8...) Show SMILES CC(C)COc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:10:11:18:14.15| Show InChI InChI=1S/C22H28N2O3/c1-14(2)13-26-21-12-19(18-6-4-5-7-20(18)23-21)22(25)27-17-10-15-8-9-16(11-17)24(15)3/h4-7,12,14-17H,8-11,13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004268 (2-Oxo-1-propyl-1,2-dihydro-quinoline-4-carboxylic ...) Show SMILES CCCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:16:17:24:20.21| Show InChI InChI=1S/C21H26N2O3/c1-3-10-23-19-7-5-4-6-17(19)18(13-20(23)24)21(25)26-16-11-14-8-9-15(12-16)22(14)2/h4-7,13-16H,3,8-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of N6-[3H]cyclohexyladenosine binding to adenosine A1 receptor from whole brain membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004297 (1-Isobutyl-2-oxo-1,2-dihydro-quinoline-4-carboxyli...) Show SMILES CC(C)Cn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:17:18:25:21.22| Show InChI InChI=1S/C22H28N2O3/c1-14(2)13-24-20-7-5-4-6-18(20)19(12-21(24)25)22(26)27-17-10-15-8-9-16(11-17)23(15)3/h4-7,12,14-17H,8-11,13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50042067 (1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-ca...) Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:16:17:24:20.21| Show InChI InChI=1S/C22H29N3O3/c1-3-4-11-25-18-8-6-5-7-17(18)20(26)19(22(25)28)21(27)23-14-12-15-9-10-16(13-14)24(15)2/h5-8,14-16,26H,3-4,9-13H2,1-2H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.				J Med Chem 36: 617-26 (1993) BindingDB Entry DOI: 10.7270/Q25B034N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004278 (2-Oxo-1-phenyl-1,2-dihydro-quinoline-4-carboxylic ...) Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(=O)n(-c2ccccc2)c2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C24H24N2O3/c1-25-17-11-12-18(25)14-19(13-17)29-24(28)21-15-23(27)26(16-7-3-2-4-8-16)22-10-6-5-9-20(21)22/h2-10,15,17-19H,11-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50003021 (7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21| Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3/t12?,13?,14?,15-,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004286 (2-Methoxy-quinoline-4-carboxylic acid 8-methyl-8-a...) Show SMILES COc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:7:8:15:11.12| Show InChI InChI=1S/C19H22N2O3/c1-21-12-7-8-13(21)10-14(9-12)24-19(22)16-11-18(23-2)20-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004287 (1-Butyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic a...) Show SMILES CCCCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:17:18:25:21.22| Show InChI InChI=1S/C22H28N2O3/c1-3-4-11-24-20-8-6-5-7-18(20)19(14-21(24)25)22(26)27-17-12-15-9-10-16(13-17)23(15)2/h5-8,14-17H,3-4,9-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004583 (8-(Octahydro-pentalen-2-yl)-1,3-dipropyl-3,7-dihyd...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CCCC2C1 Show InChI InChI=1S/C19H28N4O2/c1-3-8-22-17-15(18(24)23(9-4-2)19(22)25)20-16(21-17)14-10-12-6-5-7-13(12)11-14/h12-14H,3-11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004295 (2-Pentyloxy-quinoline-4-carboxylic acid 8-methyl-8...) Show SMILES CCCCCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:11:12:19:15.16| Show InChI InChI=1S/C23H30N2O3/c1-3-4-7-12-27-22-15-20(19-8-5-6-9-21(19)24-22)23(26)28-18-13-16-10-11-17(14-18)25(16)2/h5-6,8-9,15-18H,3-4,7,10-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004282 (2-Ethoxy-quinoline-4-carboxylic acid 8-methyl-8-az...) Show SMILES CCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:8:9:16:12.13| Show InChI InChI=1S/C20H24N2O3/c1-3-24-19-12-17(16-6-4-5-7-18(16)21-19)20(23)25-15-10-13-8-9-14(11-15)22(13)2/h4-7,12-15H,3,8-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of (R)-N6-([3H]-phenylisopropyl) adenosine binding to adenosine A1 receptor from rat cortical membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004296 (2-Oxo-1-pentyl-1,2-dihydro-quinoline-4-carboxylic ...) Show SMILES CCCCCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:18:19:26:22.23| Show InChI InChI=1S/C23H30N2O3/c1-3-4-7-12-25-21-9-6-5-8-19(21)20(15-22(25)26)23(27)28-18-13-16-10-11-17(14-18)24(16)2/h5-6,8-9,15-18H,3-4,7,10-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50003024 ((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1 Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004273 (1-Ethyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic a...) Show SMILES CCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:15:16:23:19.20| Show InChI InChI=1S/C20H24N2O3/c1-3-22-18-7-5-4-6-16(18)17(12-19(22)23)20(24)25-15-10-13-8-9-14(11-15)21(13)2/h4-7,12-15H,3,8-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004300 (1-Hexyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic a...) Show SMILES CCCCCCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:19:20:27:23.24| Show InChI InChI=1S/C24H32N2O3/c1-3-4-5-8-13-26-22-10-7-6-9-20(22)21(16-23(26)27)24(28)29-19-14-17-11-12-18(15-19)25(17)2/h6-7,9-10,16-19H,3-5,8,11-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50207816 (CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of (R)-N6-([3H]-phenylisopropyl) adenosine binding to adenosine A1 receptor from rat cortical membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004266 (1-Benzyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic ...) Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(=O)n(Cc2ccccc2)c2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C25H26N2O3/c1-26-18-11-12-19(26)14-20(13-18)30-25(29)22-15-24(28)27(16-17-7-3-2-4-8-17)23-10-6-5-9-21(22)23/h2-10,15,18-20H,11-14,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50003019 (8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20| Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor using N6-[3H]-cyclohexyladenosine in guinea pig forebrain membranes				J Med Chem 35: 3578-81 (1992) BindingDB Entry DOI: 10.7270/Q28K781C
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50044431 (8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C12CC3CC1CC(C2)C3 |TLB:20:19:24:21.22,THB:20:21:24:18.19.25| Show InChI InChI=1S/C20H28N4OS/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50006695 (8-(Octahydro-2,5-methano-pentalen-7-yl)-1,3-diprop...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3CC1CC3C2 |TLB:6:17:19:24.25,6:17:21:24.23,THB:23:22:19:24.25,23:24:19:17.22.21,25:18:21:24.23,25:24:17.18.19:21,(-1.61,-5.86,;-1.61,-4.3,;-.27,-3.53,;-.27,-1.98,;1.08,-1.2,;2.55,-1.69,;3.48,-.43,;2.55,.83,;1.08,.34,;-.27,1.12,;-.27,2.68,;-1.6,.34,;-2.93,1.12,;-2.96,2.68,;-4.29,3.45,;-1.6,-1.2,;-2.93,-1.98,;5.02,-.4,;5.3,-3.04,;4.83,-1.82,;5.84,-.99,;6.17,.27,;7.49,.35,;7.96,-.87,;6.94,-1.7,;6.61,-2.96,)| Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-18-16(19(25)24(6-4-2)20(23)26)21-17(22-18)15-13-7-11-8-14(15)10-12(11)9-13/h11-15H,3-10H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50042062 (4-Hydroxy-2-oxo-1-phenyl-1,2-dihydro-quinoline-3-c...) Show SMILES CN1C2CCC1CC(C2)NC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O |THB:9:7:1:3.4| Show InChI InChI=1S/C24H25N3O3/c1-26-17-11-12-18(26)14-15(13-17)25-23(29)21-22(28)19-9-5-6-10-20(19)27(24(21)30)16-7-3-2-4-8-16/h2-10,15,17-18,28H,11-14H2,1H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.				J Med Chem 36: 617-26 (1993) BindingDB Entry DOI: 10.7270/Q25B034N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004291 (1-(3-Methyl-butyl)-2-oxo-1,2-dihydro-quinoline-4-c...) Show SMILES CC(C)CCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:18:19:26:22.23| Show InChI InChI=1S/C23H30N2O3/c1-15(2)10-11-25-21-7-5-4-6-19(21)20(14-22(25)26)23(27)28-18-12-16-8-9-17(13-18)24(16)3/h4-7,14-18H,8-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004587 (8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20,20:21:25:18.19.24,THB:20:19:25:26.21.22| Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50449636 (BRL-43694 | GRANISETRON | Kytril | LY-278584 | San...) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1nn(C)c3ccccc13)N2C |r,TLB:24:23:8.9.7:2.4.3| Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13-,14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.				J Med Chem 36: 617-26 (1993) BindingDB Entry DOI: 10.7270/Q25B034N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50000483 ((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (GUINEA PIG)	BDBM50044432 (3-[2-(4-Amino-phenyl)-ethyl]-8-(hexahydro-2,5-meth...) Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C12CC3CC1CC(C2)C3 |THB:28:27:24:30.29.31,28:29:24:27.26| Show InChI InChI=1S/C25H31N5O2/c1-2-8-30-22(31)20-21(29(24(30)32)9-7-15-3-5-19(26)6-4-15)28-23(27-20)25-13-16-10-17(14-25)12-18(25)11-16/h3-6,16-18H,2,7-14,26H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004299 (1-Methyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic ...) Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(=O)n(C)c2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C19H22N2O3/c1-20-12-7-8-13(20)10-14(9-12)24-19(23)16-11-18(22)21(2)17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50003021 (7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21| Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3/t12?,13?,14?,15-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Adenosine A1 receptor using N6-[3H]-cyclohexyladenosine in guinea pig forebrain membranes				J Med Chem 35: 3578-81 (1992) BindingDB Entry DOI: 10.7270/Q28K781C
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50003021 (7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21| Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3/t12?,13?,14?,15-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50003024 ((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1 Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor using N6-[3H]-cyclohexyladenosine in guinea pig forebrain membranes				J Med Chem 35: 3578-81 (1992) BindingDB Entry DOI: 10.7270/Q28K781C
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50003024 ((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1 Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004271 (2-Hexyloxy-quinoline-4-carboxylic acid 8-methyl-8-...) Show SMILES CCCCCCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:12:13:20:16.17| Show InChI InChI=1S/C24H32N2O3/c1-3-4-5-8-13-28-23-16-21(20-9-6-7-10-22(20)25-23)24(27)29-19-14-17-11-12-18(15-19)26(17)2/h6-7,9-10,16-19H,3-5,8,11-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50004583 (8-(Octahydro-pentalen-2-yl)-1,3-dipropyl-3,7-dihyd...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CCCC2C1 Show InChI InChI=1S/C19H28N4O2/c1-3-8-22-17-15(18(24)23(9-4-2)19(22)25)20-16(21-17)14-10-12-6-5-7-13(12)11-14/h12-14H,3-11H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50004275 (2-Oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-me...) Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(=O)[nH]c2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C18H20N2O3/c1-20-11-6-7-12(20)9-13(8-11)23-18(22)15-10-17(21)19-16-5-3-2-4-14(15)16/h2-5,10-13H,6-9H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				J Med Chem 35: 4893-902 (1992) BindingDB Entry DOI: 10.7270/Q2BK1CZ2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50044429 (3-[2-(4-Amino-phenyl)-ethyl]-8-cyclopentyl-1-propy...) Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C21H27N5O2/c1-2-12-26-20(27)17-19(24-18(23-17)15-5-3-4-6-15)25(21(26)28)13-11-14-7-9-16(22)10-8-14/h7-10,15H,2-6,11-13,22H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50003023 (7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...) Show SMILES CCCn1c2nc(nc2c2NC(CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21| Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50003023 (7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...) Show SMILES CCCn1c2nc(nc2c2NC(CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21| Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towardsAdenosine A1 receptor using N6-[3H]-cyclohexyladenosine in guinea pig forebrain membranes				J Med Chem 35: 3578-81 (1992) BindingDB Entry DOI: 10.7270/Q28K781C
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50044430 (8-Dicyclopropylmethyl-1,3-dipropyl-2-thioxo-1,2,3,...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C(C1CC1)C1CC1 Show InChI InChI=1S/C18H26N4OS/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50042066 (4-Hydroxy-quinoline-3-carboxylic acid 8-methyl-8-a...) Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cnc2ccccc2c1O |THB:9:7:1:3.4| Show InChI InChI=1S/C18H20N2O3/c1-20-11-6-7-12(20)9-13(8-11)23-18(22)15-10-19-16-5-3-2-4-14(16)17(15)21/h2-5,10-13H,6-9H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.				J Med Chem 36: 617-26 (1993) BindingDB Entry DOI: 10.7270/Q25B034N
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 374 total )  |  Next  |  Last  >>

Jump to: