Compile Data Set for Download or QSAR

Found 803 hits with Last Name = 'ishii' and Initial = 'a'   

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
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002099 (CHEMBL366965 | Dimethyl-[3-(2-methyl-6H-dibenzo[b,...) Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccc(C)cc12 Show InChI InChI=1S/C20H23NO/c1-15-10-11-20-19(13-15)18(9-6-12-21(2)3)17-8-5-4-7-16(17)14-22-20/h4-5,7-11,13H,6,12,14H2,1-3H3/b18-9+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.130	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 for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					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))	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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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 Binding affinity towards adenosine A1 receptor in rat forebrain membranes using N6-[3H]cyclohexyladenosine				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					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
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002087 (4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccsc2-[#6](=O)-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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., Ltd. Curated by ChEMBL					Assay Description The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand a...				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50267577 (CHEMBL489640 | N6-((+/-)-endo-norborn-2-yl)adenosi...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:14:15:19.18:21| Show InChI InChI=1S/C17H23N5O4/c23-5-11-13(24)14(25)17(26-11)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11-,13-,14-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.320	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 using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes				J Med Chem 35: 924-30 (1992) BindingDB Entry DOI: 10.7270/Q2NS0VJZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB 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., Ltd. Curated by ChEMBL					Assay Description Inhibition of N6-[3H]cyclohexyladenosine binding to guinea pig forebrain membrane Adenosine A1 receptor				J Med Chem 35: 924-30 (1992) BindingDB Entry DOI: 10.7270/Q2NS0VJZ
					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 Binding affinity towards adenosine A1 receptor in rat forebrain membranes using N6-[3H]cyclohexyladenosine				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					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 Binding affinity against adenosine A1 receptor using N6-[3H]-cyclohexyladenosinene in rat whole brain membranes				J Med Chem 35: 924-30 (1992) BindingDB Entry DOI: 10.7270/Q2NS0VJZ
					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
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002083 (2-[11-(3-Dimethylamino-propylidene)-6,11-dihydro-d...) Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccc(CCO)cc12 Show InChI InChI=1S/C21H25NO2/c1-22(2)12-5-8-19-18-7-4-3-6-17(18)15-24-21-10-9-16(11-13-23)14-20(19)21/h3-4,6-10,14,23H,5,11-13,15H2,1-2H3/b19-8+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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 Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					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
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	0.490	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 in rat forebrain membranes using N6-[3H]cyclohexyladenosine				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.590	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 using N6-[3H]cyclohexyladenosine in rat brain membranes				J Med Chem 35: 924-30 (1992) BindingDB Entry DOI: 10.7270/Q2NS0VJZ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002102 (2-[11-(3-Dimethylamino-propylidene)-6,11-dihydro-d...) Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccc(CCO)cc12 Show InChI InChI=1S/C21H25NO2/c1-22(2)12-5-8-19-18-7-4-3-6-17(18)15-24-21-10-9-16(11-13-23)14-20(19)21/h3-4,6-10,14,23H,5,11-13,15H2,1-2H3/b19-8-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.630	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 The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand a...				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50267577 (CHEMBL489640 | N6-((+/-)-endo-norborn-2-yl)adenosi...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:14:15:19.18:21| Show InChI InChI=1S/C17H23N5O4/c23-5-11-13(24)14(25)17(26-11)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11-,13-,14-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	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 guinea pig forebrain membrane Adenosine A1 receptor				J Med Chem 35: 924-30 (1992) BindingDB Entry DOI: 10.7270/Q2NS0VJZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	0.730	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 A2 receptor in rat striatal membranes using N-[3H]-ethyladenosin-5''-uronamide as radioligand in the presence of 5...				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50368577 (CHEMBL604242) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC3)ncnc12 |r| Show InChI InChI=1S/C14H19N5O4/c20-4-8-10(21)11(22)14(23-8)19-6-18-9-12(15-3-7-1-2-7)16-5-17-13(9)19/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,17)/t8-,10-,11-,14?/m1/s1	PDB 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 Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes				J Med Chem 35: 924-30 (1992) BindingDB Entry DOI: 10.7270/Q2NS0VJZ
					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
Adenosine receptor A1 (GUINEA PIG)	BDBM50368578 (CHEMBL605856) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)ncnc12 |r| Show InChI InChI=1S/C17H23N5O4/c23-5-10-13(24)14(25)17(26-10)22-7-20-12-15(18-6-19-16(12)22)21-11(8-1-2-8)9-3-4-9/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t10-,13-,14-,17?/m1/s1	PDB 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 Inhibition of N6-[3H]cyclohexyladenosine binding to guinea pig forebrain membrane Adenosine A1 receptor				J Med Chem 35: 924-30 (1992) BindingDB Entry DOI: 10.7270/Q2NS0VJZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50368574 (CHEMBL605440) Show SMILES CCC(CC)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H23N5O4/c1-3-8(4-2)19-13-10-14(17-6-16-13)20(7-18-10)15-12(23)11(22)9(5-21)24-15/h6-9,11-12,15,21-23H,3-5H2,1-2H3,(H,16,17,19)/t9-,11-,12-,15?/m1/s1	PDB 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 Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes				J Med Chem 35: 924-30 (1992) BindingDB Entry DOI: 10.7270/Q2NS0VJZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50421997 (CHEMBL2093942) Show SMILES CC[C@H](C)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H21N5O4/c1-3-7(2)18-12-9-13(16-5-15-12)19(6-17-9)14-11(22)10(21)8(4-20)23-14/h5-8,10-11,14,20-22H,3-4H2,1-2H3,(H,15,16,18)/t7-,8+,10+,11+,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	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 guinea pig forebrain membrane Adenosine A1 receptor				J Med Chem 35: 924-30 (1992) BindingDB Entry DOI: 10.7270/Q2NS0VJZ
					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
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 Binding affinity towards adenosine A1 receptor in rat cortical membranes using N6-[3H]cyclohexyladenosine as radioligand				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50267577 (CHEMBL489640 | N6-((+/-)-endo-norborn-2-yl)adenosi...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:14:15:19.18:21| Show InChI InChI=1S/C17H23N5O4/c23-5-11-13(24)14(25)17(26-11)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.910	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 using N6-[3H]cyclohexyladenosine in rat brain membranes				J Med Chem 35: 924-30 (1992) BindingDB Entry DOI: 10.7270/Q2NS0VJZ
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50002792 (11-[2-(5-Benzylcarbamoyl-benzoimidazol-1-yl)-ethyl...) Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C/Cn3cnc4cc(ccc34)C(=O)NCc3ccccc3)c2c1 Show InChI InChI=1S/C32H25N3O4/c36-31(33-18-21-6-2-1-3-7-21)22-10-12-29-28(17-22)34-20-35(29)15-14-26-25-9-5-4-8-24(25)19-39-30-13-11-23(32(37)38)16-27(26)30/h1-14,16-17,20H,15,18-19H2,(H,33,36)(H,37,38)/b26-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.910	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 at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets				J Med Chem 35: 3402-13 (1992) BindingDB Entry DOI: 10.7270/Q2J38RG1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50267577 (CHEMBL489640 | N6-((+/-)-endo-norborn-2-yl)adenosi...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:14:15:19.18:21| Show InChI InChI=1S/C17H23N5O4/c23-5-11-13(24)14(25)17(26-11)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.910	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 using N6-[3H]cyclohexyladenosine in rat brain membranes				J Med Chem 35: 924-30 (1992) BindingDB Entry DOI: 10.7270/Q2NS0VJZ
					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 Binding affinity towards adenosine A1 receptor in rat forebrain membranes using N6-[3H]cyclohexyladenosine				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					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
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 Binding affinity towards adenosine A1 receptor in rat cortical membranes using N6-[3H]cyclohexyladenosine as radioligand				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					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
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
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 against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes				J Med Chem 35: 924-30 (1992) BindingDB Entry DOI: 10.7270/Q2NS0VJZ
					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)	BDBM50421998 (CHEMBL2094076) Show SMILES CC[C@@H](C)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H21N5O4/c1-3-7(2)18-12-9-13(16-5-15-12)19(6-17-9)14-11(22)10(21)8(4-20)23-14/h5-8,10-11,14,20-22H,3-4H2,1-2H3,(H,15,16,18)/t7-,8-,10-,11-,14-/m1/s1	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 Inhibition of N6-[3H]cyclohexyladenosine binding to guinea pig forebrain membrane Adenosine A1 receptor				J Med Chem 35: 924-30 (1992) BindingDB Entry DOI: 10.7270/Q2NS0VJZ
					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 against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					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
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
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50002778 (11-[2-(5-Nitro-benzoimidazol-1-yl)-ethylidene]-6,1...) Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C/Cn3cnc4cc(ccc34)[N+]([O-])=O)c2c1 Show InChI InChI=1S/C24H17N3O5/c28-24(29)15-5-8-23-20(11-15)19(18-4-2-1-3-16(18)13-32-23)9-10-26-14-25-21-12-17(27(30)31)6-7-22(21)26/h1-9,11-12,14H,10,13H2,(H,28,29)/b19-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	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 at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets				J Med Chem 35: 3402-13 (1992) BindingDB Entry DOI: 10.7270/Q2J38RG1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50368128 (BDBM50411980 | CHEMBL260167 | CHEMBL605864) Show SMILES CC(C)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C13H19N5O4/c1-6(2)17-11-8-12(15-4-14-11)18(5-16-8)13-10(21)9(20)7(3-19)22-13/h4-7,9-10,13,19-21H,3H2,1-2H3,(H,14,15,17)/t7-,9-,10-,13?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	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 using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes				J Med Chem 35: 924-30 (1992) BindingDB Entry DOI: 10.7270/Q2NS0VJZ
					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
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50002784 (11-[2-(5-Trifluoromethyl-benzoimidazol-1-yl)-ethyl...) Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C/Cn3cnc4cc(ccc34)C(F)(F)F)c2c1 Show InChI InChI=1S/C25H17F3N2O3/c26-25(27,28)17-6-7-22-21(12-17)29-14-30(22)10-9-19-18-4-2-1-3-16(18)13-33-23-8-5-15(24(31)32)11-20(19)23/h1-9,11-12,14H,10,13H2,(H,31,32)/b19-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	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 at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets				J Med Chem 35: 3402-13 (1992) BindingDB Entry DOI: 10.7270/Q2J38RG1
					More data for this Ligand-Target Pair
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
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
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50002787 (11-(2-[1,3]Dioxolo[4',5':4,5]benzo[1,2-d]imidazol-...) Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C/Cn3cnc4cc5OCOc5cc34)c2c1 Show InChI InChI=1S/C25H18N2O5/c28-25(29)15-5-6-22-19(9-15)18(17-4-2-1-3-16(17)12-30-22)7-8-27-13-26-20-10-23-24(11-21(20)27)32-14-31-23/h1-7,9-11,13H,8,12,14H2,(H,28,29)/b18-7+	PDB UniProtKB/SwissProt antibodypedia 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 Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets				J Med Chem 35: 3402-13 (1992) BindingDB Entry DOI: 10.7270/Q2J38RG1
					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

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