Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'kuppast' and Initial = 'b'   

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))	BDBM50074501 (Butyl-ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-ph...) Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(4.9,1.82,;3.57,2.56,;2.24,1.79,;.91,2.55,;-.44,1.78,;-1.76,2.55,;-3.1,1.78,;-.42,.25,;-1.75,-.52,;-1.75,-2.06,;-3.08,-2.83,;-.42,-2.83,;.91,-2.06,;2.38,-2.54,;3.31,-1.29,;4.85,-1.29,;2.38,-.03,;2.86,1.43,;.91,-.52,;2.86,-4.02,;4.37,-4.33,;5.39,-3.17,;4.85,-5.78,;3.82,-6.93,;4.31,-8.4,;2.32,-6.61,;1.84,-5.14,;.33,-4.82,)| Show InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
South Dakota State University Curated by ChEMBL					Assay Description Displacement of [125I]Tyr0sauvagine from human CRF1 receptor expressed in HEK293 cell membrane after 120 mins by gamma scintillation counting analysi...				Eur J Med Chem 78: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.03.040 BindingDB Entry DOI: 10.7270/Q2VD710K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50074501 (Butyl-ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-ph...) Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(4.9,1.82,;3.57,2.56,;2.24,1.79,;.91,2.55,;-.44,1.78,;-1.76,2.55,;-3.1,1.78,;-.42,.25,;-1.75,-.52,;-1.75,-2.06,;-3.08,-2.83,;-.42,-2.83,;.91,-2.06,;2.38,-2.54,;3.31,-1.29,;4.85,-1.29,;2.38,-.03,;2.86,1.43,;.91,-.52,;2.86,-4.02,;4.37,-4.33,;5.39,-3.17,;4.85,-5.78,;3.82,-6.93,;4.31,-8.4,;2.32,-6.61,;1.84,-5.14,;.33,-4.82,)| Show InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
South Dakota State University Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr0-sauvagine from human CRFR1 expressed in HEK293 cell membrane homogenates after 120 mins by gamma counting method				Eur J Med Chem 138: 900-908 (2017) Article DOI: 10.1016/j.ejmech.2017.07.016 BindingDB Entry DOI: 10.7270/Q2R78HRZ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50276840 (CHEMBL4160471) Show SMILES CCCCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=N)sc12 |(33.93,-2.38,;33.94,-3.92,;32.61,-4.69,;32.61,-6.23,;31.28,-7.01,;29.95,-6.24,;29.94,-4.7,;31.29,-8.55,;29.96,-9.32,;29.95,-10.86,;28.62,-11.63,;31.29,-11.63,;32.63,-10.86,;34.11,-11.33,;34.1,-12.87,;32.75,-13.63,;31.43,-12.85,;32.74,-15.17,;34.07,-15.95,;34.06,-17.49,;35.41,-15.18,;35.42,-13.64,;36.76,-12.88,;35.01,-10.07,;36.55,-10.06,;34.09,-8.82,;32.62,-9.31,)| Show InChI InChI=1S/C21H29N5S/c1-7-9-10-25(8-2)19-18-20(24-16(6)23-19)26(21(22)27-18)17-14(4)11-13(3)12-15(17)5/h11-12,22H,7-10H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
South Dakota State University Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr0-sauvagine from human CRFR1 expressed in HEK293 cell membrane homogenates after 120 mins by gamma counting method				Eur J Med Chem 138: 900-908 (2017) Article DOI: 10.1016/j.ejmech.2017.07.016 BindingDB Entry DOI: 10.7270/Q2R78HRZ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50003912 (CHEMBL3235706) Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)c1SCC Show InChI InChI=1S/C23H34N4S/c1-7-11-27(14-19-9-10-19)23-21(28-8-2)22(24-18(6)25-23)26-20-16(4)12-15(3)13-17(20)5/h12-13,19H,7-11,14H2,1-6H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
South Dakota State University Curated by ChEMBL					Assay Description Displacement of [125I]Tyr0sauvagine from human CRF1 receptor expressed in HEK293 cell membrane after 120 mins by gamma scintillation counting analysi...				Eur J Med Chem 78: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.03.040 BindingDB Entry DOI: 10.7270/Q2VD710K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50003909 (CHEMBL3235700) Show SMILES COCCN(CCOC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)c1SC Show InChI InChI=1S/C21H32N4O2S/c1-14-12-15(2)18(16(3)13-14)24-20-19(28-7)21(23-17(4)22-20)25(8-10-26-5)9-11-27-6/h12-13H,8-11H2,1-7H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	275	n/a	n/a	n/a	n/a	n/a	n/a
South Dakota State University Curated by ChEMBL					Assay Description Displacement of [125I]Tyr0sauvagine from human CRF1 receptor expressed in HEK293 cell membrane after 120 mins by gamma scintillation counting analysi...				Eur J Med Chem 78: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.03.040 BindingDB Entry DOI: 10.7270/Q2VD710K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50276841 (CHEMBL4161963) Show SMILES CCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)\c(=N/N)sc12 |(3.83,-3.22,;3.84,-4.76,;5.17,-5.52,;6.5,-4.75,;6.5,-3.21,;5.18,-7.06,;3.85,-7.83,;3.85,-9.38,;2.51,-10.15,;5.18,-10.15,;6.52,-9.38,;8,-9.85,;7.99,-11.39,;6.64,-12.14,;5.32,-11.36,;6.63,-13.68,;7.96,-14.46,;7.95,-16,;9.3,-13.69,;9.31,-12.16,;10.65,-11.39,;8.9,-8.59,;10.44,-8.58,;11.22,-9.91,;7.98,-7.34,;6.51,-7.83,)| Show InChI InChI=1S/C19H26N6S/c1-7-24(8-2)17-16-18(22-14(6)21-17)25(19(23-20)26-16)15-12(4)9-11(3)10-13(15)5/h9-10H,7-8,20H2,1-6H3/b23-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	447	n/a	n/a	n/a	n/a	n/a	n/a
South Dakota State University Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr0-sauvagine from human CRFR1 expressed in HEK293 cell membrane homogenates after 120 mins by gamma counting method				Eur J Med Chem 138: 900-908 (2017) Article DOI: 10.1016/j.ejmech.2017.07.016 BindingDB Entry DOI: 10.7270/Q2R78HRZ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50003910 (CHEMBL3235703) Show SMILES CCCN(CCC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)c1SCC Show InChI InChI=1S/C22H34N4S/c1-8-11-26(12-9-2)22-20(27-10-3)21(23-18(7)24-22)25-19-16(5)13-15(4)14-17(19)6/h13-14H,8-12H2,1-7H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	537	n/a	n/a	n/a	n/a	n/a	n/a
South Dakota State University Curated by ChEMBL					Assay Description Displacement of [125I]Tyr0sauvagine from human CRF1 receptor expressed in HEK293 cell membrane after 120 mins by gamma scintillation counting analysi...				Eur J Med Chem 78: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.03.040 BindingDB Entry DOI: 10.7270/Q2VD710K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50003911 (CHEMBL3235705) Show SMILES CCSc1c(Nc2c(C)cc(C)cc2C)nc(C)nc1N(CCOC)CCOC Show InChI InChI=1S/C22H34N4O2S/c1-8-29-20-21(25-19-16(3)13-15(2)14-17(19)4)23-18(5)24-22(20)26(9-11-27-6)10-12-28-7/h13-14H,8-12H2,1-7H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	589	n/a	n/a	n/a	n/a	n/a	n/a
South Dakota State University Curated by ChEMBL					Assay Description Displacement of [125I]Tyr0sauvagine from human CRF1 receptor expressed in HEK293 cell membrane after 120 mins by gamma scintillation counting analysi...				Eur J Med Chem 78: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.03.040 BindingDB Entry DOI: 10.7270/Q2VD710K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50276839 (CHEMBL4170184) Show SMILES CCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=N)sc12 |(16.61,-2.72,;16.61,-4.26,;17.95,-5.02,;19.28,-4.25,;19.28,-2.71,;17.95,-6.56,;16.63,-7.33,;16.62,-8.88,;15.29,-9.65,;17.96,-9.65,;19.3,-8.88,;20.78,-9.35,;20.77,-10.89,;19.42,-11.65,;18.1,-10.86,;19.41,-13.18,;20.74,-13.96,;20.73,-15.5,;22.08,-13.2,;22.09,-11.66,;23.42,-10.9,;21.68,-8.09,;23.22,-8.08,;20.76,-6.84,;19.29,-7.33,)| Show InChI InChI=1S/C19H25N5S/c1-7-23(8-2)17-16-18(22-14(6)21-17)24(19(20)25-16)15-12(4)9-11(3)10-13(15)5/h9-10,20H,7-8H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	891	n/a	n/a	n/a	n/a	n/a	n/a
South Dakota State University Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr0-sauvagine from human CRFR1 expressed in HEK293 cell membrane homogenates after 120 mins by gamma counting method				Eur J Med Chem 138: 900-908 (2017) Article DOI: 10.1016/j.ejmech.2017.07.016 BindingDB Entry DOI: 10.7270/Q2R78HRZ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50276840 (CHEMBL4160471) Show SMILES CCCCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=N)sc12 |(33.93,-2.38,;33.94,-3.92,;32.61,-4.69,;32.61,-6.23,;31.28,-7.01,;29.95,-6.24,;29.94,-4.7,;31.29,-8.55,;29.96,-9.32,;29.95,-10.86,;28.62,-11.63,;31.29,-11.63,;32.63,-10.86,;34.11,-11.33,;34.1,-12.87,;32.75,-13.63,;31.43,-12.85,;32.74,-15.17,;34.07,-15.95,;34.06,-17.49,;35.41,-15.18,;35.42,-13.64,;36.76,-12.88,;35.01,-10.07,;36.55,-10.06,;34.09,-8.82,;32.62,-9.31,)| Show InChI InChI=1S/C21H29N5S/c1-7-9-10-25(8-2)19-18-20(24-16(6)23-19)26(21(22)27-18)17-14(4)11-13(3)12-15(17)5/h11-12,22H,7-10H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
South Dakota State University Curated by ChEMBL					Assay Description Antagonist activity at human CRFR1 expressed in HEK293 cells assessed as inhibition of sauvagine-induced cAMP accumulation by measuring sauvagine EC5...				Eur J Med Chem 138: 900-908 (2017) Article DOI: 10.1016/j.ejmech.2017.07.016 BindingDB Entry DOI: 10.7270/Q2R78HRZ
					More data for this Ligand-Target Pair