Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'hoshino' and Initial = 'y'   

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
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116105 (3-(6-(dimethylamino)-4-methylpyridin-3-yl)-2,5-dim...) Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(-1.91,-13.39,;-3.24,-14.16,;-4.58,-13.4,;-5.91,-14.18,;-7.24,-13.41,;-8.57,-14.19,;-9.91,-13.42,;-5.9,-15.72,;-7.22,-16.49,;-7.23,-18.03,;-8.56,-18.8,;-5.9,-18.8,;-4.55,-18.03,;-3.07,-18.5,;-2.16,-17.24,;-.62,-17.23,;-3.09,-15.99,;-4.56,-16.48,;-2.58,-19.96,;-3.61,-21.11,;-3.13,-22.57,;-1.62,-22.88,;-.59,-21.72,;-1.08,-20.27,;-.06,-19.11,;-1.13,-24.34,;.38,-24.65,;-2.15,-25.5,)| Show InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF-stimulated cAMP accumulation				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50095778 (4-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC(C)(C)O)-c1cccc(F)c1 Show InChI InChI=1S/C17H16FN5O/c1-17(2,24)8-7-12-20-14(19)13-16(21-12)23(3)15(22-13)10-5-4-6-11(18)9-10/h4-6,9,24H,1-3H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A2A receptor expressed in HEK-293 cells versus [3H]-CGS-21,680				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50095790 (1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCC1)-c1cccc(F)c1 Show InChI InChI=1S/C19H18FN5O/c1-25-17(12-5-4-6-13(20)11-12)24-15-16(21)22-14(23-18(15)25)7-10-19(26)8-2-3-9-19/h4-6,11,26H,2-3,8-9H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A2A receptor expressed in HEK-293 cells versus [3H]-CGS-21,680				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50420920 (CHEMBL2087549 | CHEMBL2087567) Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(COC)cc1OC |(-4.48,2.67,;-3.74,1.32,;-2.2,1.29,;-1.32,.02,;.16,.47,;1.48,-.33,;2.82,.42,;2.86,1.96,;1.54,2.75,;.19,2.01,;-1.27,2.51,;-1.71,3.99,;-.66,5.11,;.86,4.84,;2.3,5.36,;2.03,3.85,;-3.21,4.34,;-3.58,5.83,;-5.06,6.26,;-5.43,7.76,;-4.32,8.82,;-2.84,8.39,;-2.47,6.9,;1.44,-1.87,;2.76,-2.66,;4.11,-1.92,;5.43,-2.72,;2.73,-4.2,;1.38,-4.95,;1.35,-6.49,;2.67,-7.28,;2.64,-8.82,;.07,-4.15,;.1,-2.61,;-1.22,-1.81,;-2.57,-2.56,)| Show InChI InChI=1S/C29H39N3O4/c1-5-23-29(31(17-20-9-10-20)18-21-11-13-36-14-12-21)25-8-6-7-24(32(25)30-23)28-26(34-3)15-22(19-33-2)16-27(28)35-4/h6-8,15-16,20-21H,5,9-14,17-19H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF-stimulated cAMP accumulation				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50095786 (1-(6-Amino-8-furan-2-yl-9-methyl-9H-purin-2-ylethy...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1ccco1 Show InChI InChI=1S/C18H19N5O2/c1-23-16(12-6-5-11-25-12)22-14-15(19)20-13(21-17(14)23)7-10-18(24)8-3-2-4-9-18/h5-6,11,24H,2-4,8-9H2,1H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A2A receptor expressed in HEK-293 cells versus [3H]-CGS-21,680				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50095784 (1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES CCC(O)(CC)C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1 Show InChI InChI=1S/C19H20FN5O/c1-4-19(26,5-2)10-9-14-22-16(21)15-18(23-14)25(3)17(24-15)12-7-6-8-13(20)11-12/h6-8,11,26H,4-5H2,1-3H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A2A receptor expressed in HEK-293 cells versus [3H]-CGS-21,680				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50095787 (3-[6-Amino-2-(1-hydroxy-cyclohexylethynyl)-9-methy...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1cccc(c1)C#N Show InChI InChI=1S/C21H20N6O/c1-27-19(15-7-5-6-14(12-15)13-22)26-17-18(23)24-16(25-20(17)27)8-11-21(28)9-3-2-4-10-21/h5-7,12,28H,2-4,9-10H2,1H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A2A receptor expressed in HEK-293 cells versus [3H]-CGS-21,680				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50059376 (9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-...) Show SMILES COC(=O)C1=C2C=CN(C)C=C2c2nc(nn2C1)-c1ccccc1 |c:4,6,10| Show InChI InChI=1S/C18H16N4O2/c1-21-9-8-13-14(10-21)17-19-16(12-6-4-3-5-7-12)20-22(17)11-15(13)18(23)24-2/h3-10H,11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A3 receptor expressed in HEK-293 cells versus [125I]-AB-MECA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095793 (1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1cccc(F)c1 Show InChI InChI=1S/C20H20FN5O/c1-26-18(13-6-5-7-14(21)12-13)25-16-17(22)23-15(24-19(16)26)8-11-20(27)9-3-2-4-10-20/h5-7,12,27H,2-4,9-10H2,1H3,(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A1 receptor expressed in CHO-K1 cells versus [3H]-CCPA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50095788 (1-[6-Amino-8-(2-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1ccccc1F Show InChI InChI=1S/C20H20FN5O/c1-26-18(13-7-3-4-8-14(13)21)25-16-17(22)23-15(24-19(16)26)9-12-20(27)10-5-2-6-11-20/h3-4,7-8,27H,2,5-6,10-11H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A2A receptor expressed in HEK-293 cells versus [3H]-CGS-21,680				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50095793 (1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1cccc(F)c1 Show InChI InChI=1S/C20H20FN5O/c1-26-18(13-6-5-7-14(21)12-13)25-16-17(22)23-15(24-19(16)26)8-11-20(27)9-3-2-4-10-20/h5-7,12,27H,2-4,9-10H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A2A receptor expressed in HEK-293 cells versus [3H]-CGS-21,680				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50079652 ((E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...) Show SMILES OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A1 receptor expressed in CHO-K1 cells versus [3H]-CCPA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095788 (1-[6-Amino-8-(2-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1ccccc1F Show InChI InChI=1S/C20H20FN5O/c1-26-18(13-7-3-4-8-14(13)21)25-16-17(22)23-15(24-19(16)26)9-12-20(27)10-5-2-6-11-20/h3-4,7-8,27H,2,5-6,10-11H2,1H3,(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A1 receptor expressed in CHO-K1 cells versus [3H]-CCPA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50095781 (1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCCC1)-c1cccc(F)c1 Show InChI InChI=1S/C21H22FN5O/c1-27-19(14-7-6-8-15(22)13-14)26-17-18(23)24-16(25-20(17)27)9-12-21(28)10-4-2-3-5-11-21/h6-8,13,28H,2-5,10-11H2,1H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A2A receptor expressed in HEK-293 cells versus [3H]-CGS-21,680				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095790 (1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCC1)-c1cccc(F)c1 Show InChI InChI=1S/C19H18FN5O/c1-25-17(12-5-4-6-13(20)11-12)24-15-16(21)22-14(23-18(15)25)7-10-19(26)8-2-3-9-19/h4-6,11,26H,2-3,8-9H2,1H3,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A1 receptor expressed in CHO-K1 cells versus [3H]-CCPA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095786 (1-(6-Amino-8-furan-2-yl-9-methyl-9H-purin-2-ylethy...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1ccco1 Show InChI InChI=1S/C18H19N5O2/c1-23-16(12-6-5-11-25-12)22-14-15(19)20-13(21-17(14)23)7-10-18(24)8-3-2-4-9-18/h5-6,11,24H,2-4,8-9H2,1H3,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A1 receptor expressed in CHO-K1 cells versus [3H]-CCPA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095781 (1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCCC1)-c1cccc(F)c1 Show InChI InChI=1S/C21H22FN5O/c1-27-19(14-7-6-8-15(22)13-14)26-17-18(23)24-16(25-20(17)27)9-12-21(28)10-4-2-3-5-11-21/h6-8,13,28H,2-5,10-11H2,1H3,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A1 receptor expressed in CHO-K1 cells versus [3H]-CCPA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095784 (1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES CCC(O)(CC)C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1 Show InChI InChI=1S/C19H20FN5O/c1-4-19(26,5-2)10-9-14-22-16(21)15-18(23-14)25(3)17(24-15)12-7-6-8-13(20)11-12/h6-8,11,26H,4-5H2,1-3H3,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A1 receptor expressed in CHO-K1 cells versus [3H]-CCPA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095778 (4-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC(C)(C)O)-c1cccc(F)c1 Show InChI InChI=1S/C17H16FN5O/c1-17(2,24)8-7-12-20-14(19)13-16(21-12)23(3)15(22-13)10-5-4-6-11(18)9-10/h4-6,9,24H,1-3H3,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A1 receptor expressed in CHO-K1 cells versus [3H]-CCPA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50006710 (8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...) Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity for adenosine A2A receptor expressed in HEK-293 cells compared to [3H]-CGS-21,680				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095787 (3-[6-Amino-2-(1-hydroxy-cyclohexylethynyl)-9-methy...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1cccc(c1)C#N Show InChI InChI=1S/C21H20N6O/c1-27-19(15-7-5-6-14(12-15)13-22)26-17-18(23)24-16(25-20(17)27)8-11-21(28)9-3-2-4-10-21/h5-7,12,28H,2-4,9-10H2,1H3,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A1 receptor expressed in CHO-K1 cells versus [3H]-CCPA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50095784 (1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES CCC(O)(CC)C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1 Show InChI InChI=1S/C19H20FN5O/c1-4-19(26,5-2)10-9-14-22-16(21)15-18(23-14)25(3)17(24-15)12-7-6-8-13(20)11-12/h6-8,11,26H,4-5H2,1-3H3,(H2,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A3 receptor expressed in HEK-293 cells versus [125I]-AB-MECA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50095793 (1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1cccc(F)c1 Show InChI InChI=1S/C20H20FN5O/c1-26-18(13-6-5-7-14(21)12-13)25-16-17(22)23-15(24-19(16)26)8-11-20(27)9-3-2-4-10-20/h5-7,12,27H,2-4,9-10H2,1H3,(H2,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A3 receptor expressed in HEK-293 cells versus [125I]-AB-MECA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50095790 (1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCC1)-c1cccc(F)c1 Show InChI InChI=1S/C19H18FN5O/c1-25-17(12-5-4-6-13(20)11-12)24-15-16(21)22-14(23-18(15)25)7-10-19(26)8-2-3-9-19/h4-6,11,26H,2-3,8-9H2,1H3,(H2,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A3 receptor expressed in HEK-293 cells versus [125I]-AB-MECA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50079652 ((E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...) Show SMILES OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity for adenosine A2A receptor expressed in HEK-293 cells compared to [3H]-CGS-21,680				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50095778 (4-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC(C)(C)O)-c1cccc(F)c1 Show InChI InChI=1S/C17H16FN5O/c1-17(2,24)8-7-12-20-14(19)13-16(21-12)23(3)15(22-13)10-5-4-6-11(18)9-10/h4-6,9,24H,1-3H3,(H2,19,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A3 receptor expressed in HEK-293 cells versus [125I]-AB-MECA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50006710 (8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...) Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A3 receptor expressed in HEK-293 cells versus [125I]-AB-MECA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50079652 ((E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...) Show SMILES OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A3 receptor expressed in HEK-293 cells versus [125I]-AB-MECA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 2 (Homo sapiens (Human))	BDBM50420920 (CHEMBL2087549 | CHEMBL2087567) Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(COC)cc1OC |(-4.48,2.67,;-3.74,1.32,;-2.2,1.29,;-1.32,.02,;.16,.47,;1.48,-.33,;2.82,.42,;2.86,1.96,;1.54,2.75,;.19,2.01,;-1.27,2.51,;-1.71,3.99,;-.66,5.11,;.86,4.84,;2.3,5.36,;2.03,3.85,;-3.21,4.34,;-3.58,5.83,;-5.06,6.26,;-5.43,7.76,;-4.32,8.82,;-2.84,8.39,;-2.47,6.9,;1.44,-1.87,;2.76,-2.66,;4.11,-1.92,;5.43,-2.72,;2.73,-4.2,;1.38,-4.95,;1.35,-6.49,;2.67,-7.28,;2.64,-8.82,;.07,-4.15,;.1,-2.61,;-1.22,-1.81,;-2.57,-2.56,)| Show InChI InChI=1S/C29H39N3O4/c1-5-23-29(31(17-20-9-10-20)18-21-11-13-36-14-12-21)25-8-6-7-24(32(25)30-23)28-26(34-3)15-22(19-33-2)16-27(28)35-4/h6-8,15-16,20-21H,5,9-14,17-19H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human CRF2 receptor expressed in IMR32 cells assessed as inhibition of CRF-stimulated cAMP accumulation				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50059376 (9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-...) Show SMILES COC(=O)C1=C2C=CN(C)C=C2c2nc(nn2C1)-c1ccccc1 |c:4,6,10| Show InChI InChI=1S/C18H16N4O2/c1-21-9-8-13-14(10-21)17-19-16(12-6-4-3-5-7-12)20-22(17)11-15(13)18(23)24-2/h3-10H,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity for adenosine A2A receptor expressed in HEK-293 cells compared to [3H]-CGS-21,680				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50006710 (8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...) Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A1 receptor expressed in CHO-K1 cells versus [3H]-CCPA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50059376 (9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-...) Show SMILES COC(=O)C1=C2C=CN(C)C=C2c2nc(nn2C1)-c1ccccc1 |c:4,6,10| Show InChI InChI=1S/C18H16N4O2/c1-21-9-8-13-14(10-21)17-19-16(12-6-4-3-5-7-12)20-22(17)11-15(13)18(23)24-2/h3-10H,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A1 receptor expressed in CHO-K1 cells versus [3H]-CCPA				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50006710 (8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...) Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against cyclic AMP production in rat Adenosine A2A receptor assay				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50420904 (CHEMBL2087550) Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1ccc(OC)cc1Cl Show InChI InChI=1S/C24H28ClN3O/c1-3-21-24(27(14-16-7-8-16)15-17-9-10-17)23-6-4-5-22(28(23)26-21)19-12-11-18(29-2)13-20(19)25/h4-6,11-13,16-17H,3,7-10,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50420906 (CHEMBL2087552) Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1ccc(C)cc1OC Show InChI InChI=1S/C25H31N3O/c1-4-21-25(27(15-18-9-10-18)16-19-11-12-19)23-7-5-6-22(28(23)26-21)20-13-8-17(2)14-24(20)29-3/h5-8,13-14,18-19H,4,9-12,15-16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50420908 (CHEMBL2087554) Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1c(C)cc(OC)cc1C |(-4.21,2.14,;-3.44,.81,;-1.9,.81,;-.99,-.43,;.47,.05,;1.81,-.72,;3.14,.05,;3.13,1.59,;1.8,2.36,;.47,1.59,;-1,2.06,;-1.48,3.53,;-2.98,3.84,;-3.38,5.33,;-2.99,6.82,;-4.48,6.42,;-.45,4.67,;-.85,6.16,;-.45,7.65,;-1.94,7.25,;1.81,-2.26,;3.14,-3.03,;4.48,-2.25,;3.15,-4.57,;1.81,-5.34,;1.82,-6.88,;3.15,-7.65,;.48,-4.57,;.48,-3.03,;-.86,-2.26,)| Show InChI InChI=1S/C26H33N3O/c1-5-22-26(28(15-19-9-10-19)16-20-11-12-20)24-8-6-7-23(29(24)27-22)25-17(2)13-21(30-4)14-18(25)3/h6-8,13-14,19-20H,5,9-12,15-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50095786 (1-(6-Amino-8-furan-2-yl-9-methyl-9H-purin-2-ylethy...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1ccco1 Show InChI InChI=1S/C18H19N5O2/c1-23-16(12-6-5-11-25-12)22-14-15(19)20-13(21-17(14)23)7-10-18(24)8-3-2-4-9-18/h5-6,11,24H,2-4,8-9H2,1H3,(H2,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity on NECA-induced cyclic-AMP accumulation in CHO-K1 cells expressing human Adenosine A2B receptor				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50420909 (CHEMBL2087555) Show SMILES CCCN(CCC)c1c(CC)nn2c(cccc12)-c1ccc(OC)cc1Cl Show InChI InChI=1S/C22H28ClN3O/c1-5-13-25(14-6-2)22-19(7-3)24-26-20(9-8-10-21(22)26)17-12-11-16(27-4)15-18(17)23/h8-12,15H,5-7,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50420905 (CHEMBL2087551) Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1ccc(OC)cc1C Show InChI InChI=1S/C25H31N3O/c1-4-22-25(27(15-18-8-9-18)16-19-10-11-19)24-7-5-6-23(28(24)26-22)21-13-12-20(29-3)14-17(21)2/h5-7,12-14,18-19H,4,8-11,15-16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50079652 ((E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...) Show SMILES OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17.2	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against cyclic AMP production in rat Adenosine A1 receptor assay				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50420912 (CHEMBL2087558) Show SMILES CCc1nn2c(cccc2c1N(CCCF)CC1CC1)-c1c(C)cc(C)cc1OC |(-4.75,1.19,;-3.97,-.14,;-2.43,-.13,;-1.52,-1.37,;-.06,-.88,;1.28,-1.65,;2.61,-.87,;2.6,.67,;1.26,1.43,;-.07,.66,;-1.54,1.12,;-2.02,2.58,;-1,3.74,;-1.56,5.17,;-.59,6.37,;-1.16,7.81,;-3.53,2.9,;-4.09,4.33,;-5.29,5.29,;-3.86,5.85,;1.29,-3.19,;-.04,-3.96,;-1.38,-3.2,;-.03,-5.5,;1.3,-6.27,;1.31,-7.81,;2.63,-5.49,;2.62,-3.95,;3.95,-3.17,;5.29,-3.93,)| Show InChI InChI=1S/C25H32FN3O/c1-5-20-25(28(13-7-12-26)16-19-10-11-19)22-9-6-8-21(29(22)27-20)24-18(3)14-17(2)15-23(24)30-4/h6,8-9,14-15,19H,5,7,10-13,16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50420916 (CHEMBL2087562) Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(C)cc1OC |(-4.48,1.41,;-3.7,.09,;-2.16,.1,;-1.25,-1.14,;.21,-.65,;1.55,-1.41,;2.88,-.63,;2.87,.91,;1.53,1.67,;.2,.89,;-1.27,1.35,;-1.75,2.81,;-.73,3.96,;.79,3.73,;2.22,4.3,;2,2.77,;-3.26,3.12,;-3.67,4.6,;-5.16,4.99,;-5.57,6.48,;-4.49,7.57,;-3,7.19,;-2.59,5.7,;1.57,-2.95,;2.91,-3.71,;4.23,-2.93,;5.57,-3.69,;2.92,-5.25,;1.59,-6.03,;1.6,-7.57,;.25,-5.27,;.24,-3.73,;-1.1,-2.97,;-2.43,-3.75,)| Show InChI InChI=1S/C28H37N3O3/c1-5-22-28(30(17-20-9-10-20)18-21-11-13-34-14-12-21)24-8-6-7-23(31(24)29-22)27-25(32-3)15-19(2)16-26(27)33-4/h6-8,15-16,20-21H,5,9-14,17-18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated cAMP accumulation after 30 mins by fluo...				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50420916 (CHEMBL2087562) Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(C)cc1OC |(-4.48,1.41,;-3.7,.09,;-2.16,.1,;-1.25,-1.14,;.21,-.65,;1.55,-1.41,;2.88,-.63,;2.87,.91,;1.53,1.67,;.2,.89,;-1.27,1.35,;-1.75,2.81,;-.73,3.96,;.79,3.73,;2.22,4.3,;2,2.77,;-3.26,3.12,;-3.67,4.6,;-5.16,4.99,;-5.57,6.48,;-4.49,7.57,;-3,7.19,;-2.59,5.7,;1.57,-2.95,;2.91,-3.71,;4.23,-2.93,;5.57,-3.69,;2.92,-5.25,;1.59,-6.03,;1.6,-7.57,;.25,-5.27,;.24,-3.73,;-1.1,-2.97,;-2.43,-3.75,)| Show InChI InChI=1S/C28H37N3O3/c1-5-22-28(30(17-20-9-10-20)18-21-11-13-34-14-12-21)24-8-6-7-23(31(24)29-22)27-25(32-3)15-19(2)16-26(27)33-4/h6-8,15-16,20-21H,5,9-14,17-18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50420915 (CHEMBL2087561) Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(C)cc(C)cc1OC |(-4.15,-1.62,;-3.38,-.29,;-2.03,-.24,;-1.12,-1.48,;.34,-1,;1.68,-1.76,;3.01,-.99,;3,.55,;1.66,1.32,;.33,.54,;-1.13,1.01,;-1.62,2.47,;-3.13,2.78,;-4.21,1.69,;-5.69,1.28,;-4.6,.2,;-.59,3.62,;-1.15,5.05,;-.19,6.26,;-.75,7.69,;-2.27,7.92,;-3.23,6.72,;-2.67,5.29,;1.69,-3.3,;.36,-4.08,;-.98,-3.32,;.37,-5.62,;1.71,-6.38,;1.71,-7.92,;3.03,-5.61,;3.03,-4.07,;4.36,-3.29,;5.69,-4.05,)| Show InChI InChI=1S/C28H37N3O2/c1-5-23-28(30(17-21-9-10-21)18-22-11-13-33-14-12-22)25-8-6-7-24(31(25)29-23)27-20(3)15-19(2)16-26(27)32-4/h6-8,15-16,21-22H,5,9-14,17-18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50095793 (1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1cccc(F)c1 Show InChI InChI=1S/C20H20FN5O/c1-26-18(13-6-5-7-14(21)12-13)25-16-17(22)23-15(24-19(16)26)8-11-20(27)9-3-2-4-10-20/h5-7,12,27H,2-4,9-10H2,1H3,(H2,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity on NECA-induced cyclic-AMP accumulation in CHO-K1 cells expressing human Adenosine A2B receptor				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50420920 (CHEMBL2087549 | CHEMBL2087567) Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(COC)cc1OC |(-4.48,2.67,;-3.74,1.32,;-2.2,1.29,;-1.32,.02,;.16,.47,;1.48,-.33,;2.82,.42,;2.86,1.96,;1.54,2.75,;.19,2.01,;-1.27,2.51,;-1.71,3.99,;-.66,5.11,;.86,4.84,;2.3,5.36,;2.03,3.85,;-3.21,4.34,;-3.58,5.83,;-5.06,6.26,;-5.43,7.76,;-4.32,8.82,;-2.84,8.39,;-2.47,6.9,;1.44,-1.87,;2.76,-2.66,;4.11,-1.92,;5.43,-2.72,;2.73,-4.2,;1.38,-4.95,;1.35,-6.49,;2.67,-7.28,;2.64,-8.82,;.07,-4.15,;.1,-2.61,;-1.22,-1.81,;-2.57,-2.56,)| Show InChI InChI=1S/C29H39N3O4/c1-5-23-29(31(17-20-9-10-20)18-21-11-13-36-14-12-21)25-8-6-7-24(32(25)30-23)28-26(34-3)15-22(19-33-2)16-27(28)35-4/h6-8,15-16,20-21H,5,9-14,17-19H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated cAMP accumulation after 30 mins by fluo...				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50420907 (CHEMBL2087553) Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1c(C)cc(C)cc1OC |(-4.21,1.75,;-3.44,.42,;-1.9,.42,;-.99,-.82,;.48,-.34,;1.81,-1.1,;3.14,-.32,;3.14,1.22,;1.8,1.98,;.47,1.2,;-1,1.67,;-1.48,3.14,;-2.99,3.45,;-3.39,4.94,;-3,6.43,;-4.49,6.02,;-.45,4.29,;-.86,5.77,;-.47,7.26,;-1.95,6.86,;1.82,-2.64,;3.16,-3.4,;4.49,-2.63,;3.16,-4.94,;1.83,-5.72,;1.84,-7.26,;.5,-4.96,;.49,-3.42,;-.85,-2.65,;-2.18,-3.43,)| Show InChI InChI=1S/C26H33N3O/c1-5-21-26(28(15-19-9-10-19)16-20-11-12-20)23-8-6-7-22(29(23)27-21)25-18(3)13-17(2)14-24(25)30-4/h6-8,13-14,19-20H,5,9-12,15-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50420930 (CHEMBL2087795) Show SMILES COc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(C)cc1OC |(-4.48,1.44,;-3.71,.1,;-2.17,.1,;-1.27,-1.14,;.2,-.67,;1.53,-1.44,;2.87,-.67,;2.87,.87,;1.53,1.64,;.2,.87,;-1.27,1.35,;-1.74,2.81,;-.71,3.96,;.81,3.72,;2.25,4.27,;2.01,2.75,;-3.25,3.13,;-3.65,4.62,;-5.13,5.02,;-5.53,6.51,;-4.44,7.6,;-2.96,7.2,;-2.56,5.71,;1.53,-2.98,;2.86,-3.75,;4.2,-2.98,;5.53,-3.75,;2.86,-5.29,;1.53,-6.06,;1.53,-7.6,;.2,-5.29,;.2,-3.75,;-1.14,-2.98,;-2.47,-3.75,)| Show InChI InChI=1S/C27H35N3O4/c1-18-14-23(31-2)25(24(15-18)32-3)21-6-5-7-22-26(27(33-4)28-30(21)22)29(16-19-8-9-19)17-20-10-12-34-13-11-20/h5-7,14-15,19-20H,8-13,16-17H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50420935 (CHEMBL2087799) Show SMILES COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3COCCO3)c(SC)nn12 |(2.79,-8.78,;2.8,-7.24,;1.47,-6.46,;1.48,-4.92,;2.82,-4.16,;2.83,-2.62,;4.17,-1.86,;5.5,-2.64,;1.5,-1.84,;.16,-2.6,;-1.17,-1.82,;-2.5,-2.58,;.15,-4.14,;1.51,-.3,;2.85,.46,;2.86,2,;1.53,2.78,;.19,2.02,;-1.27,2.51,;-1.73,3.98,;-.69,5.11,;.83,4.86,;2.27,5.4,;2.02,3.88,;-3.24,4.31,;-3.62,5.8,;-2.53,6.88,;-2.92,8.37,;-4.4,8.78,;-5.5,7.7,;-5.11,6.21,;-2.18,1.27,;-3.72,1.28,;-4.48,2.62,;-1.28,.02,;.18,.48,)| Show InChI InChI=1S/C27H35N3O5S/c1-31-16-19-12-23(32-2)25(24(13-19)33-3)21-6-5-7-22-26(27(36-4)28-30(21)22)29(14-18-8-9-18)15-20-17-34-10-11-35-20/h5-7,12-13,18,20H,8-11,14-17H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50420927 (CHEMBL2087574) Show SMILES COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(SC)nn12 |(2.74,-8.79,;2.75,-7.25,;1.43,-6.47,;1.45,-4.93,;2.79,-4.17,;2.81,-2.63,;4.15,-1.88,;5.47,-2.66,;1.48,-1.85,;.14,-2.6,;-1.18,-1.82,;-2.53,-2.57,;.12,-4.14,;1.5,-.31,;2.84,.45,;2.86,1.99,;1.53,2.77,;.19,2.02,;-1.27,2.51,;-1.73,3.98,;-.68,5.11,;.84,4.85,;2.28,5.39,;2.02,3.87,;-3.23,4.32,;-3.61,5.81,;-5.09,6.22,;-5.47,7.72,;-4.37,8.79,;-2.89,8.38,;-2.51,6.89,;-2.19,1.27,;-3.73,1.29,;-4.48,2.63,;-1.29,.02,;.18,.48,)| Show InChI InChI=1S/C28H37N3O4S/c1-32-18-21-14-24(33-2)26(25(15-21)34-3)22-6-5-7-23-27(28(36-4)29-31(22)23)30(16-19-8-9-19)17-20-10-12-35-13-11-20/h5-7,14-15,19-20H,8-13,16-18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated cAMP accumulation after 30 mins by fluo...				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
					More data for this Ligand-Target Pair

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