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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50036789   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074439
PNG
(1-(2-Bromo-4,6-dimethoxy-phenyl)-4,6-dimethyl-1H-p...)
Show SMILES COc1cc(Br)c(c(OC)c1)-n1ccc2c(C)cc(C)nc12 |(12.47,-15.06,;10.97,-14.75,;10.48,-13.3,;11.5,-12.14,;11.01,-10.69,;12.02,-9.53,;9.5,-10.37,;8.48,-11.53,;6.98,-11.21,;5.96,-12.35,;8.97,-12.98,;9.03,-8.92,;9.92,-7.66,;9.01,-6.42,;7.54,-6.91,;6.21,-6.14,;6.21,-4.6,;4.88,-6.91,;4.88,-8.45,;3.55,-9.22,;6.21,-9.22,;7.56,-8.45,)|
Show InChI InChI=1S/C17H17BrN2O2/c1-10-7-11(2)19-17-13(10)5-6-20(17)16-14(18)8-12(21-3)9-15(16)22-4/h5-9H,1-4H3
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1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074411
PNG
((2-Bromo-4,6-dimethoxy-phenyl)-(4,6-dimethyl-pyrim...)
Show SMILES CCN(c1nc(C)cc(C)n1)c1c(Br)cc(OC)cc1OC
Show InChI InChI=1S/C16H20BrN3O2/c1-6-20(16-18-10(2)7-11(3)19-16)15-13(17)8-12(21-4)9-14(15)22-5/h7-9H,6H2,1-5H3
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5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074372
PNG
((2-Bromo-4-isopropyl-phenyl)-ethyl-(4-methyl-6-mor...)
Show SMILES CCN(c1nc(C)cc(n1)N1CCOCC1)c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C20H27BrN4O/c1-5-25(18-7-6-16(14(2)3)13-17(18)21)20-22-15(4)12-19(23-20)24-8-10-26-11-9-24/h6-7,12-14H,5,8-11H2,1-4H3
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22n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074435
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-6-methyl-4-morpholi...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1ccc2c(cc(C)nc12)N1CCOCC1
Show InChI InChI=1S/C21H24BrN3O/c1-14(2)16-4-5-19(18(22)13-16)25-7-6-17-20(12-15(3)23-21(17)25)24-8-10-26-11-9-24/h4-7,12-14H,8-11H2,1-3H3
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28n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074420
PNG
(1-(2-Bromo-4,6-dimethoxy-phenyl)-4,6-dimethyl-1H-p...)
Show SMILES COc1cc(Br)c(c(OC)c1)-n1cc(C#N)c2c(C)cc(C)nc12 |(12.47,-15.06,;10.97,-14.75,;10.48,-13.3,;11.5,-12.14,;11.01,-10.69,;12.02,-9.53,;9.5,-10.37,;8.48,-11.53,;6.98,-11.21,;5.96,-12.35,;8.97,-12.98,;9.03,-8.92,;9.92,-7.66,;9.01,-6.42,;9.48,-4.95,;9.95,-3.48,;7.54,-6.91,;6.21,-6.14,;6.21,-4.6,;4.88,-6.91,;4.88,-8.45,;3.55,-9.22,;6.21,-9.22,;7.56,-8.45,)|
Show InChI InChI=1S/C18H16BrN3O2/c1-10-5-11(2)21-18-16(10)12(8-20)9-22(18)17-14(19)6-13(23-3)7-15(17)24-4/h5-7,9H,1-4H3
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29n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074425
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-6-methyl-4-phenyl-1...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2c(cc(C)nc12)-c1ccccc1
Show InChI InChI=1S/C24H20BrN3/c1-15(2)18-9-10-22(21(25)12-18)28-14-19(13-26)23-20(11-16(3)27-24(23)28)17-7-5-4-6-8-17/h4-12,14-15H,1-3H3
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34n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074429
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-6-methyl-4-phenyl-1...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1ccc2c(cc(C)nc12)-c1ccccc1
Show InChI InChI=1S/C23H21BrN2/c1-15(2)18-9-10-22(21(24)14-18)26-12-11-19-20(13-16(3)25-23(19)26)17-7-5-4-6-8-17/h4-15H,1-3H3
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36n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074351
PNG
((4,6-Dimethyl-pyrimidin-2-yl)-ethyl-(2-iodo-4-isop...)
Show SMILES CCN(c1nc(C)cc(C)n1)c1ccc(cc1I)C(C)C
Show InChI InChI=1S/C17H22IN3/c1-6-21(17-19-12(4)9-13(5)20-17)16-8-7-14(11(2)3)10-15(16)18/h7-11H,6H2,1-5H3
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38n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074353
PNG
((2-Bromo-4,6-dimethoxy-phenyl)-ethyl-(4-methyl-6-m...)
Show SMILES CCN(c1nc(C)nc(n1)N1CCOCC1)c1c(Br)cc(OC)cc1OC
Show InChI InChI=1S/C18H24BrN5O3/c1-5-24(16-14(19)10-13(25-3)11-15(16)26-4)18-21-12(2)20-17(22-18)23-6-8-27-9-7-23/h10-11H,5-9H2,1-4H3
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43n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074350
PNG
((2-Bromo-4-isopropyl-phenyl)-(4,6-dimethyl-pyrimid...)
Show SMILES CCN(c1nc(C)cc(C)n1)c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C17H22BrN3/c1-6-21(17-19-12(4)9-13(5)20-17)16-8-7-14(11(2)3)10-15(16)18/h7-11H,6H2,1-5H3
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46n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074437
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-4,6-dimethyl-1H-pyr...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1ccc2c(C)cc(C)nc12
Show InChI InChI=1S/C18H19BrN2/c1-11(2)14-5-6-17(16(19)10-14)21-8-7-15-12(3)9-13(4)20-18(15)21/h5-11H,1-4H3
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47n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074432
PNG
((4,6-Dimethyl-pyrimidin-2-yl)-(2-iodo-4-isopropyl-...)
Show SMILES CC(C)c1ccc(N(C)c2nc(C)cc(C)n2)c(I)c1
Show InChI InChI=1S/C16H20IN3/c1-10(2)13-6-7-15(14(17)9-13)20(5)16-18-11(3)8-12(4)19-16/h6-10H,1-5H3
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48n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074430
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-4-chloro-6-methyl-1...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1ccc2c(Cl)cc(C)nc12
Show InChI InChI=1S/C17H16BrClN2/c1-10(2)12-4-5-16(14(18)9-12)21-7-6-13-15(19)8-11(3)20-17(13)21/h4-10H,1-3H3
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67n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074419
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-6-chloro-4-methyl-1...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1ccc2c(C)cc(Cl)nc12
Show InChI InChI=1S/C17H16BrClN2/c1-10(2)12-4-5-15(14(18)9-12)21-7-6-13-11(3)8-16(19)20-17(13)21/h4-10H,1-3H3
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79n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074408
PNG
((2-Bromo-4-isopropyl-phenyl)-(4,6-dimethyl-pyrimid...)
Show SMILES CC(C)c1ccc(N(C)c2nc(C)cc(C)n2)c(Br)c1
Show InChI InChI=1S/C16H20BrN3/c1-10(2)13-6-7-15(14(17)9-13)20(5)16-18-11(3)8-12(4)19-16/h6-10H,1-5H3
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96n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074423
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-6-methyl-4-morpholi...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2c(cc(C)nc12)N1CCOCC1
Show InChI InChI=1S/C22H23BrN4O/c1-14(2)16-4-5-19(18(23)11-16)27-13-17(12-24)21-20(10-15(3)25-22(21)27)26-6-8-28-9-7-26/h4-5,10-11,13-14H,6-9H2,1-3H3
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112n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074442
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-6-methyl-1H-pyrrolo...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1ccc2ccc(C)nc12
Show InChI InChI=1S/C17H17BrN2/c1-11(2)14-6-7-16(15(18)10-14)20-9-8-13-5-4-12(3)19-17(13)20/h4-11H,1-3H3
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222n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074427
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-4,6-dimethyl-1H-pyr...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2c(C)cc(C)nc12
Show InChI InChI=1S/C19H18BrN3/c1-11(2)14-5-6-17(16(20)8-14)23-10-15(9-21)18-12(3)7-13(4)22-19(18)23/h5-8,10-11H,1-4H3
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363n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074417
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-6-chloro-4-methyl-1...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2c(C)cc(Cl)nc12
Show InChI InChI=1S/C18H15BrClN3/c1-10(2)12-4-5-15(14(19)7-12)23-9-13(8-21)17-11(3)6-16(20)22-18(17)23/h4-7,9-10H,1-3H3
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446n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074440
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-4-chloro-6-methyl-1...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2c(Cl)cc(C)nc12
Show InChI InChI=1S/C18H15BrClN3/c1-10(2)12-4-5-16(14(19)7-12)23-9-13(8-21)17-15(20)6-11(3)22-18(17)23/h4-7,9-10H,1-3H3
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722n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074418
PNG
((2-Bromo-4-isopropyl-phenyl)-(2,6-dimethyl-pyrimid...)
Show SMILES CCN(c1cc(C)nc(C)n1)c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C17H22BrN3/c1-6-21(17-9-12(4)19-13(5)20-17)16-8-7-14(11(2)3)10-15(16)18/h7-11H,6H2,1-5H3
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>1.00E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074424
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-6-methyl-1H-pyrrolo...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2ccc(C)nc12
Show InChI InChI=1S/C18H16BrN3/c1-11(2)13-5-7-17(16(19)8-13)22-10-14(9-20)15-6-4-12(3)21-18(15)22/h4-8,10-11H,1-3H3
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1.28E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074433
PNG
(1-(4-Isopropyl-phenyl)-4,6-dimethyl-1H-pyrrolo[2,3...)
Show SMILES CC(C)c1ccc(cc1)-n1ccc2c(C)cc(C)nc12
Show InChI InChI=1S/C18H20N2/c1-12(2)15-5-7-16(8-6-15)20-10-9-17-13(3)11-14(4)19-18(17)20/h5-12H,1-4H3
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2.46E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074438
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-4-methyl-1H-pyrrolo...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2c(C)ccnc12
Show InChI InChI=1S/C18H16BrN3/c1-11(2)13-4-5-16(15(19)8-13)22-10-14(9-20)17-12(3)6-7-21-18(17)22/h4-8,10-11H,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074436
PNG
((2-Bromo-4-isopropyl-phenyl)-(4,6-dimethyl-pyrimid...)
Show SMILES CC(C)c1ccc(Nc2nc(C)cc(C)n2)c(Br)c1
Show InChI InChI=1S/C15H18BrN3/c1-9(2)12-5-6-14(13(16)8-12)19-15-17-10(3)7-11(4)18-15/h5-9H,1-4H3,(H,17,18,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074416
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-6-hydroxy-4-methyl-...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2c(C)cc(=O)[nH]c12
Show InChI InChI=1S/C18H16BrN3O/c1-10(2)12-4-5-15(14(19)7-12)22-9-13(8-20)17-11(3)6-16(23)21-18(17)22/h4-7,9-10H,1-3H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074431
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-6-methyl-7-oxy-1H-p...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2ccc(C)[n+]([O-])c12
Show InChI InChI=1S/C18H16BrN3O/c1-11(2)13-5-7-17(16(19)8-13)21-10-14(9-20)15-6-4-12(3)22(23)18(15)21/h4-8,10-11H,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074426
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-4-methyl-1H-pyrrolo...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1ccc2c(C)ccnc12
Show InChI InChI=1S/C17H17BrN2/c1-11(2)13-4-5-16(15(18)10-13)20-9-7-14-12(3)6-8-19-17(14)20/h4-11H,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074421
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-4,6-dimethyl-1H-pyr...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1cc(C(O)=O)c2c(C)cc(C)nc12
Show InChI InChI=1S/C19H19BrN2O2/c1-10(2)13-5-6-16(15(20)8-13)22-9-14(19(23)24)17-11(3)7-12(4)21-18(17)22/h5-10H,1-4H3,(H,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074441
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-4,6-dimethyl-1H-pyr...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1cc(C(N)=O)c2c(C)cc(C)nc12
Show InChI InChI=1S/C19H20BrN3O/c1-10(2)13-5-6-16(15(20)8-13)23-9-14(18(21)24)17-11(3)7-12(4)22-19(17)23/h5-10H,1-4H3,(H2,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074422
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-4-methyl-6-phenyl-1...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1ccc2c(C)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C23H21BrN2/c1-15(2)18-9-10-22(20(24)14-18)26-12-11-19-16(3)13-21(25-23(19)26)17-7-5-4-6-8-17/h4-15H,1-3H3
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>1.00E+5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074415
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-4-methyl-6-phenyl-1...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2c(C)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C24H20BrN3/c1-15(2)18-9-10-22(20(25)12-18)28-14-19(13-26)23-16(3)11-21(27-24(23)28)17-7-5-4-6-8-17/h4-12,14-15H,1-3H3
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>1.00E+5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1


J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair