Compile Data Set for Download or QSAR

Found 1548 hits with Last Name = 'ha' and Initial = 'mt'   

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
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202412 (3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...) Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Inhibition of human bradykinin B1 receptor				Bioorg Med Chem Lett 18: 5027-31 (2008) Article DOI: 10.1016/j.bmcl.2008.08.014 BindingDB Entry DOI: 10.7270/Q2NG4QDX
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50127438 (1-(2-Oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo...) Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=NC(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O |c:20| Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Inhibition of human bradykinin B1 receptor				Bioorg Med Chem Lett 18: 5027-31 (2008) Article DOI: 10.1016/j.bmcl.2008.08.014 BindingDB Entry DOI: 10.7270/Q2NG4QDX
					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	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane				J Med Chem 32: 1231-7 (1989) BindingDB Entry DOI: 10.7270/Q2PZ57T1
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50132951 (8-(2,4-dichlorophenyl)-2-methyl-N,N-dipropylquinol...) Show SMILES CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H24Cl2N2/c1-4-11-26(12-5-2)21-13-15(3)25-22-18(7-6-8-19(21)22)17-10-9-16(23)14-20(17)24/h6-10,13-14H,4-5,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					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
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes				J Med Chem 32: 1231-7 (1989) BindingDB Entry DOI: 10.7270/Q2PZ57T1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (RAT)	BDBM50127438 (1-(2-Oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo...) Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=NC(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O |c:20| Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at rat bradykinin B1 receptor				Bioorg Med Chem Lett 18: 5027-31 (2008) Article DOI: 10.1016/j.bmcl.2008.08.014 BindingDB Entry DOI: 10.7270/Q2NG4QDX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50007838 (8-Cyclohexyl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1 Show InChI InChI=1S/C17H26N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG 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
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes				J Med Chem 32: 1231-7 (1989) BindingDB Entry DOI: 10.7270/Q2PZ57T1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50007838 (8-Cyclohexyl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1 Show InChI InChI=1S/C17H26N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG 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
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane				J Med Chem 32: 1231-7 (1989) BindingDB Entry DOI: 10.7270/Q2PZ57T1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82013 (8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihyd...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N Show InChI InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism of binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptors on rat cortical membranes				J Med Chem 28: 487-92 (1985) BindingDB Entry DOI: 10.7270/Q2RV0P8X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82013 (8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihyd...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N Show InChI InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)| Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/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	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82010 (1,3-Dipropyl-8-(4-hydroxyphenyl)xanthine | 8-(4-Hy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82010 (1,3-Dipropyl-8-(4-hydroxyphenyl)xanthine | 8-(4-Hy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism of binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptors on rat cortical membranes				J Med Chem 28: 487-92 (1985) BindingDB Entry DOI: 10.7270/Q2RV0P8X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021004 (8-(2,4-Diamino-phenyl)-1,3-dipropyl-3,7-dihydro-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1N Show InChI InChI=1S/C17H22N6O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,18-19H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231916 (CHEMBL404351 | N-(cyclopropylmethyl)-1-(2-methoxy-...) Show SMILES CCCN(CC1CC1)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(14.99,5.95,;16.33,5.19,;16.34,3.65,;17.67,2.88,;19,3.66,;19,5.2,;19.77,6.53,;18.23,6.52,;17.68,1.34,;16.36,.57,;15.02,1.34,;16.35,-.97,;17.68,-1.74,;17.69,-3.28,;16.35,-4.05,;15.02,-3.28,;16.35,-5.59,;17.69,-6.36,;17.69,-7.9,;19.03,-5.58,;19.02,-4.04,;20.35,-3.27,;21.69,-4.03,;19.02,-.96,;20.34,-1.73,;21.7,-.96,;21.69,.59,;20.35,1.35,;19.02,.58,)| Show InChI InChI=1S/C26H32N2O/c1-6-13-28(16-20-11-12-20)26-19(4)27-25(21-9-7-8-10-22(21)26)24-18(3)14-17(2)15-23(24)29-5/h7-10,14-15,20H,6,11-13,16H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82025 (1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane				J Med Chem 32: 1231-7 (1989) BindingDB Entry DOI: 10.7270/Q2PZ57T1
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231921 (1-(2-methoxy-4,6-dimethylphenyl)-3-methyl-N,N-dipr...) Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(18.7,-17.27,;20.04,-16.5,;21.37,-17.27,;22.7,-16.5,;22.7,-14.96,;21.37,-14.19,;21.37,-12.65,;24.04,-17.26,;25.36,-16.49,;25.36,-14.95,;26.7,-17.26,;26.71,-18.81,;28.04,-19.58,;28.04,-21.12,;26.71,-21.89,;29.37,-21.89,;30.71,-21.11,;32.04,-21.88,;30.7,-19.57,;29.37,-18.8,;29.36,-17.26,;30.69,-16.49,;25.37,-19.58,;25.37,-21.11,;24.05,-21.88,;22.71,-21.11,;22.71,-19.58,;24.04,-18.81,)| Show InChI InChI=1S/C25H32N2O/c1-7-13-27(14-8-2)25-19(5)26-24(20-11-9-10-12-21(20)25)23-18(4)15-17(3)16-22(23)28-6/h9-12,15-16H,7-8,13-14H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021453 (4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C18H21N5O3/c1-3-9-22-16-13(17(25)23(10-4-2)18(22)26)20-15(21-16)12-7-5-11(6-8-12)14(19)24/h5-8H,3-4,9-10H2,1-2H3,(H2,19,24)(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021453 (4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C18H21N5O3/c1-3-9-22-16-13(17(25)23(10-4-2)18(22)26)20-15(21-16)12-7-5-11(6-8-12)14(19)24/h5-8H,3-4,9-10H2,1-2H3,(H2,19,24)(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231925 (CHEMBL253914 | N,N-bis(cyclopropylmethyl)-1-(2-met...) Show SMILES COc1cc(C)cc(C)c1-c1nc(C)c(N(CC2CC2)CC2CC2)c2ccccc12 |(33.37,-4.76,;32.04,-3.99,;30.71,-4.77,;30.71,-6.3,;29.38,-7.08,;29.38,-8.62,;28.04,-6.31,;28.04,-4.77,;26.71,-4,;29.38,-4,;29.37,-2.47,;28.04,-1.7,;28.04,-.15,;26.71,.62,;29.37,.62,;29.36,2.16,;30.69,2.93,;30.68,4.47,;31.45,5.8,;29.91,5.8,;28.02,2.92,;28.02,4.46,;28.78,5.79,;27.24,5.79,;30.71,-.15,;32.03,.63,;33.37,-.13,;33.38,-1.68,;32.03,-2.45,;30.71,-1.69,)| Show InChI InChI=1S/C27H32N2O/c1-17-13-18(2)25(24(14-17)30-4)26-22-7-5-6-8-23(22)27(19(3)28-26)29(15-20-9-10-20)16-21-11-12-21/h5-8,13-14,20-21H,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	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231907 (1-(2,4-bis(2,2-difluoroethyl)-6-methoxyphenyl)-3-m...) Show SMILES CCCN(CCC)c1c(C)nc(-c2c(CC(F)F)cc(CC(F)F)cc2OC)c2ccccc12 |(8.74,-42.13,;7.41,-42.91,;7.42,-44.45,;6.09,-45.22,;4.75,-44.46,;4.74,-42.92,;3.41,-42.16,;6.1,-46.76,;4.77,-47.53,;3.44,-46.77,;4.77,-49.08,;6.1,-49.85,;6.1,-51.38,;4.77,-52.15,;3.43,-51.38,;2.1,-52.15,;.77,-51.38,;2.1,-53.69,;4.77,-53.69,;6.1,-54.46,;6.11,-56,;4.78,-56.78,;3.44,-56.01,;4.78,-58.32,;7.44,-53.68,;7.43,-52.15,;8.76,-51.37,;10.1,-52.14,;7.44,-49.07,;8.76,-49.83,;10.11,-49.06,;10.1,-47.51,;8.76,-46.75,;7.44,-47.53,)| Show InChI InChI=1S/C27H32F4N2O/c1-5-11-33(12-6-2)27-17(3)32-26(20-9-7-8-10-21(20)27)25-19(16-24(30)31)13-18(15-23(28)29)14-22(25)34-4/h7-10,13-14,23-24H,5-6,11-12,15-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021456 (Acetic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetr...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)=O)cc1 Show InChI InChI=1S/C19H22N4O4/c1-4-10-22-17-15(18(25)23(11-5-2)19(22)26)20-16(21-17)13-6-8-14(9-7-13)27-12(3)24/h6-9H,4-5,10-11H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021452 (4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H21N5O4S/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(8-6-11)27(18,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H2,18,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231927 (3-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N,N-dipro...) Show SMILES CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(8.99,5.66,;7.66,4.88,;7.67,3.34,;6.34,2.57,;5,3.33,;4.99,4.87,;3.66,5.63,;6.34,1.03,;5.02,.26,;3.68,1.03,;2.35,.25,;5.02,-1.29,;6.35,-2.06,;6.35,-3.59,;5.02,-4.36,;3.68,-3.59,;5.02,-5.9,;6.35,-6.67,;6.36,-8.21,;7.69,-5.89,;7.68,-4.36,;9.01,-3.58,;10.35,-4.35,;7.69,-1.28,;9.01,-2.04,;10.36,-1.27,;10.35,.28,;9.01,1.04,;7.68,.26,)| Show InChI InChI=1S/C26H34N2O/c1-7-14-28(15-8-2)26-21-13-11-10-12-20(21)25(27-22(26)9-3)24-19(5)16-18(4)17-23(24)29-6/h10-13,16-17H,7-9,14-15H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82025 (1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes				J Med Chem 32: 1231-7 (1989) BindingDB Entry DOI: 10.7270/Q2PZ57T1
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM82025 (1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.				J Med Chem 32: 1231-7 (1989) BindingDB Entry DOI: 10.7270/Q2PZ57T1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021448 (8-(2-Hydroxy-4-methoxy-phenyl)-1,3-dipropyl-3,7-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1O Show InChI InChI=1S/C18H22N4O4/c1-4-8-21-16-14(17(24)22(9-5-2)18(21)25)19-15(20-16)12-7-6-11(26-3)10-13(12)23/h6-7,10,23H,4-5,8-9H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50321113 (3-Phenyl-2-(trifluoromethyl)quinazolin-4(3H)-one |...) Show SMILES FC(F)(F)c1nc2ccccc2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C15H9F3N2O/c16-15(17,18)14-19-12-9-5-4-8-11(12)13(21)20(14)10-6-2-1-3-7-10/h1-9H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Troms£ Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa				Bioorg Med Chem 18: 4317-27 (2010) Article DOI: 10.1016/j.bmc.2010.04.083 BindingDB Entry DOI: 10.7270/Q2QV3MP9
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231921 (1-(2-methoxy-4,6-dimethylphenyl)-3-methyl-N,N-dipr...) Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(18.7,-17.27,;20.04,-16.5,;21.37,-17.27,;22.7,-16.5,;22.7,-14.96,;21.37,-14.19,;21.37,-12.65,;24.04,-17.26,;25.36,-16.49,;25.36,-14.95,;26.7,-17.26,;26.71,-18.81,;28.04,-19.58,;28.04,-21.12,;26.71,-21.89,;29.37,-21.89,;30.71,-21.11,;32.04,-21.88,;30.7,-19.57,;29.37,-18.8,;29.36,-17.26,;30.69,-16.49,;25.37,-19.58,;25.37,-21.11,;24.05,-21.88,;22.71,-21.11,;22.71,-19.58,;24.04,-18.81,)| Show InChI InChI=1S/C25H32N2O/c1-7-13-27(14-8-2)25-19(5)26-24(20-11-9-10-12-21(20)25)23-18(4)15-17(3)16-22(23)28-6/h9-12,15-16H,7-8,13-14H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at CRF1 receptor expressed in mouse AtT20 cells assessed as inhibition of sauvagine-stimulated cAMP accumulation				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021456 (Acetic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetr...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)=O)cc1 Show InChI InChI=1S/C19H22N4O4/c1-4-10-22-17-15(18(25)23(11-5-2)19(22)26)20-16(21-17)13-6-8-14(9-7-13)27-12(3)24/h6-9H,4-5,10-11H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82025 (1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
TBA Curated by ChEMBL					Assay Description Antagonism of binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptors on rat cortical membranes				J Med Chem 28: 487-92 (1985) BindingDB Entry DOI: 10.7270/Q2RV0P8X
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021004 (8-(2,4-Diamino-phenyl)-1,3-dipropyl-3,7-dihydro-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1N Show InChI InChI=1S/C17H22N6O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,18-19H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82025 (1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021455 (8-(4-Methoxy-phenyl)-1,3-dipropyl-3,7-dihydro-puri...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1 Show InChI InChI=1S/C18H22N4O3/c1-4-10-21-16-14(17(23)22(11-5-2)18(21)24)19-15(20-16)12-6-8-13(25-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021449 (8-(2,4-Dihydroxy-phenyl)-1,3-dipropyl-3,7-dihydro-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1O Show InChI InChI=1S/C17H20N4O4/c1-3-7-20-15-13(16(24)21(8-4-2)17(20)25)18-14(19-15)11-6-5-10(22)9-12(11)23/h5-6,9,22-23H,3-4,7-8H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231919 (1-(4-(difluoromethoxy)-2-methoxyphenyl)-3-methyl-N...) Show SMILES CCCN(CCC)c1c(C)nc(-c2ccc(OC(F)F)cc2OC)c2ccccc12 Show InChI InChI=1S/C24H28F2N2O2/c1-5-13-28(14-6-2)23-16(3)27-22(18-9-7-8-10-19(18)23)20-12-11-17(30-24(25)26)15-21(20)29-4/h7-12,15,24H,5-6,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM50018152 (8-Phenyl-1-propyl-3,7-dihydro-purine-2,6-dione | C...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1 Show InChI InChI=1S/C14H14N4O2/c1-2-8-18-13(19)10-12(17-14(18)20)16-11(15-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,16)(H,17,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane				J Med Chem 32: 1231-7 (1989) BindingDB Entry DOI: 10.7270/Q2PZ57T1
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231930 (1-(4-chloro-2-methylphenyl)-3-methyl-N,N-dipropyli...) Show SMILES CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2C)c2ccccc12 Show InChI InChI=1S/C23H27ClN2/c1-5-13-26(14-6-2)23-17(4)25-22(20-9-7-8-10-21(20)23)19-12-11-18(24)15-16(19)3/h7-12,15H,5-6,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231907 (1-(2,4-bis(2,2-difluoroethyl)-6-methoxyphenyl)-3-m...) Show SMILES CCCN(CCC)c1c(C)nc(-c2c(CC(F)F)cc(CC(F)F)cc2OC)c2ccccc12 |(8.74,-42.13,;7.41,-42.91,;7.42,-44.45,;6.09,-45.22,;4.75,-44.46,;4.74,-42.92,;3.41,-42.16,;6.1,-46.76,;4.77,-47.53,;3.44,-46.77,;4.77,-49.08,;6.1,-49.85,;6.1,-51.38,;4.77,-52.15,;3.43,-51.38,;2.1,-52.15,;.77,-51.38,;2.1,-53.69,;4.77,-53.69,;6.1,-54.46,;6.11,-56,;4.78,-56.78,;3.44,-56.01,;4.78,-58.32,;7.44,-53.68,;7.43,-52.15,;8.76,-51.37,;10.1,-52.14,;7.44,-49.07,;8.76,-49.83,;10.11,-49.06,;10.1,-47.51,;8.76,-46.75,;7.44,-47.53,)| Show InChI InChI=1S/C27H32F4N2O/c1-5-11-33(12-6-2)27-17(3)32-26(20-9-7-8-10-21(20)27)25-19(16-24(30)31)13-18(15-23(28)29)14-22(25)34-4/h7-10,13-14,23-24H,5-6,11-12,15-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at CRF1 receptor expressed in mouse AtT20 cells assessed as inhibition of sauvagine-stimulated cAMP accumulation				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM81925 (8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1 Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes				J Med Chem 32: 1231-7 (1989) BindingDB Entry DOI: 10.7270/Q2PZ57T1
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231910 (1-(4-methoxy-2,6-dimethylphenyl)-3-methyl-N,N-dipr...) Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(OC)cc2C)c2ccccc12 |(23.41,-40.7,;22.08,-41.48,;22.09,-43.02,;20.76,-43.79,;19.42,-43.03,;19.42,-41.49,;18.08,-40.73,;20.77,-45.33,;19.44,-46.11,;18.11,-45.34,;19.44,-47.65,;20.77,-48.42,;20.78,-49.96,;22.11,-50.72,;23.44,-49.94,;22.11,-52.25,;20.78,-53.03,;20.78,-54.57,;19.45,-55.35,;19.44,-52.26,;19.44,-50.73,;18.11,-49.96,;22.11,-47.64,;23.43,-48.4,;24.78,-47.63,;24.77,-46.08,;23.44,-45.32,;22.11,-46.1,)| Show InChI InChI=1S/C25H32N2O/c1-7-13-27(14-8-2)25-19(5)26-24(21-11-9-10-12-22(21)25)23-17(3)15-20(28-6)16-18(23)4/h9-12,15-16H,7-8,13-14H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021450 (8-(4-Amino-phenyl)-1,3-dipropyl-3,7-dihydro-purine...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1 Show InChI InChI=1S/C17H21N5O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h5-8H,3-4,9-10,18H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021450 (8-(4-Amino-phenyl)-1,3-dipropyl-3,7-dihydro-purine...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1 Show InChI InChI=1S/C17H21N5O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h5-8H,3-4,9-10,18H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231909 (1-(4-methoxy-2-methylphenyl)-3-methyl-N,N-dipropyl...) Show SMILES CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2C)c2ccccc12 Show InChI InChI=1S/C24H30N2O/c1-6-14-26(15-7-2)24-18(4)25-23(21-10-8-9-11-22(21)24)20-13-12-19(27-5)16-17(20)3/h8-13,16H,6-7,14-15H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231926 (1-(2,4-dimethyl-6-(2-morpholinoethoxy)phenyl)-3-me...) Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCOCC2)c2ccccc12 |(-4.87,-42.46,;-6.2,-43.24,;-6.19,-44.78,;-7.52,-45.55,;-8.86,-44.79,;-8.87,-43.25,;-10.21,-42.48,;-7.52,-47.09,;-8.84,-47.86,;-10.18,-47.09,;-8.84,-49.41,;-7.51,-50.18,;-7.51,-51.71,;-8.84,-52.48,;-10.18,-51.71,;-8.84,-54.02,;-7.51,-54.79,;-7.51,-56.33,;-6.17,-54.01,;-6.18,-52.48,;-4.85,-51.7,;-3.51,-52.47,;-2.18,-51.69,;-.84,-52.46,;-.85,-53.99,;.48,-54.76,;1.82,-53.99,;1.82,-52.45,;.48,-51.67,;-6.17,-49.4,;-4.85,-50.16,;-3.5,-49.39,;-3.51,-47.84,;-4.85,-47.08,;-6.18,-47.85,)| Show InChI InChI=1S/C30H41N3O2/c1-6-12-33(13-7-2)30-24(5)31-29(25-10-8-9-11-26(25)30)28-23(4)20-22(3)21-27(28)35-19-16-32-14-17-34-18-15-32/h8-11,20-21H,6-7,12-19H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231912 (1-(2-(2-(4-(dipropylamino)-3-methylisoquinolin-1-y...) Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCCC(O)C2)c2ccccc12 |w:27.28,(26.97,-42.89,;25.64,-43.67,;25.65,-45.21,;24.32,-45.99,;22.98,-45.22,;22.98,-43.68,;21.64,-42.92,;24.33,-47.53,;23,-48.3,;21.67,-47.53,;23,-49.84,;24.33,-50.61,;24.34,-52.15,;23,-52.92,;21.67,-52.15,;23,-54.46,;24.34,-55.23,;24.34,-56.77,;25.67,-54.45,;25.67,-52.91,;27,-52.14,;28.33,-52.9,;29.66,-52.13,;31,-52.89,;31,-54.42,;32.33,-55.19,;33.66,-54.42,;33.66,-52.88,;34.99,-52.11,;32.32,-52.11,;25.67,-49.83,;26.99,-50.6,;28.34,-49.83,;28.33,-48.28,;27,-47.51,;25.67,-48.29,)| Show InChI InChI=1S/C31H43N3O2/c1-6-14-34(15-7-2)31-24(5)32-30(26-12-8-9-13-27(26)31)29-23(4)19-22(3)20-28(29)36-18-17-33-16-10-11-25(35)21-33/h8-9,12-13,19-20,25,35H,6-7,10-11,14-18,21H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021457 (8-(2,3-Dihydroxy-phenyl)-1,3-dipropyl-3,7-dihydro-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccc(O)c1O Show InChI InChI=1S/C17H20N4O4/c1-3-8-20-15-12(16(24)21(9-4-2)17(20)25)18-14(19-15)10-6-5-7-11(22)13(10)23/h5-7,22-23H,3-4,8-9H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021460 (8-(3-Chloro-4-hydroxy-phenyl)-1,3-dipropyl-3,7-dih...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)c(Cl)c1 Show InChI InChI=1S/C17H19ClN4O3/c1-3-7-21-15-13(16(24)22(8-4-2)17(21)25)19-14(20-15)10-5-6-12(23)11(18)9-10/h5-6,9,23H,3-4,7-8H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231923 (1-(2-ethyl-4-methoxyphenyl)-3-methyl-N,N-dipropyli...) Show SMILES CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2CC)c2ccccc12 Show InChI InChI=1S/C25H32N2O/c1-6-15-27(16-7-2)25-18(4)26-24(22-11-9-10-12-23(22)25)21-14-13-20(28-5)17-19(21)8-3/h9-14,17H,6-8,15-16H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018152 (8-Phenyl-1-propyl-3,7-dihydro-purine-2,6-dione | C...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1 Show InChI InChI=1S/C14H14N4O2/c1-2-8-18-13(19)10-12(17-14(18)20)16-11(15-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,16)(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane				J Med Chem 32: 1231-7 (1989) BindingDB Entry DOI: 10.7270/Q2PZ57T1
					More data for this Ligand-Target Pair

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