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Compile Data Set for Download or QSAR

Found 295 hits with Last Name = 'burris' and Initial = 'kd'   
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


(Homo sapiens (Human))
BDBM50058163
PNG
(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
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3.70n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells


Bioorg Med Chem Lett 15: 3870-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.117
BindingDB Entry DOI: 10.7270/Q269733T
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50058163
PNG
(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
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3.70n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells


Bioorg Med Chem Lett 15: 3870-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.117
BindingDB Entry DOI: 10.7270/Q269733T
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50058163
PNG
(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
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3.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86463
PNG
((+)-6-fluorodinapsoline hydrobromide | CAS_0 | NSC...)
Show SMILES Oc1ccc2[C@@H]3CNCc4ccc(F)c(Cc2c1O)c34
Show InChI InChI=1S/C16H14FNO2/c17-13-3-1-8-6-18-7-12-9-2-4-14(19)16(20)10(9)5-11(13)15(8)12/h1-4,12,18-20H,5-7H2/t12-/m0/s1
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50135349
PNG
(CHEMBL341313 | {5-[(Cyclopropylmethyl-propyl-amino...)
Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(Br)cc(Br)cc2Br)nc1C(F)(F)F
Show InChI InChI=1S/C18H19Br3F3N3S/c1-2-5-27(8-10-3-4-10)9-14-16(18(22,23)24)26-17(28-14)25-15-12(20)6-11(19)7-13(15)21/h6-7,10H,2-5,8-9H2,1H3,(H,25,26)
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7.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314008
PNG
(CHEMBL1087165 | N-(cyclopropylmethyl)-2,2,2-triflu...)
Show SMILES Cc1cc(C)c(N2CCCn3c(CN(CC4CC4)CC(F)(F)F)c(nc23)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C23H28F6N4/c1-14-9-15(2)19(16(3)10-14)33-8-4-7-32-18(20(23(27,28)29)30-21(32)33)12-31(11-17-5-6-17)13-22(24,25)26/h9-10,17H,4-8,11-13H2,1-3H3
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50135329
PNG
(CHEMBL128100 | {5-[(Cyclopropylmethyl-propyl-amino...)
Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
Show InChI InChI=1S/C18H19Cl3F3N3S/c1-2-5-27(8-10-3-4-10)9-14-16(18(22,23)24)26-17(28-14)25-15-12(20)6-11(19)7-13(15)21/h6-7,10H,2-5,8-9H2,1H3,(H,25,26)
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8.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50117182
PNG
(2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinoline-...)
Show SMILES Oc1ccc2C3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2
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10.7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50117181
PNG
((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...)
Show SMILES Oc1ccc2[C@@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1
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11.1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314009
PNG
(CHEMBL1087166 | N-(cyclopropylmethyl)-2,2,3,3,3-pe...)
Show SMILES Cc1cc(C)c(N2CCCn3c(CN(CC4CC4)CC(F)(F)C(F)(F)F)c(nc23)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C24H28F8N4/c1-14-9-15(2)19(16(3)10-14)36-8-4-7-35-18(20(23(27,28)29)33-21(35)36)12-34(11-17-5-6-17)13-22(25,26)24(30,31)32/h9-10,17H,4-8,11-13H2,1-3H3
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14n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86454
PNG
(6-ethyldinapsoline hydrobromide)
Show SMILES CCc1ccc2CNC[C@H]3c4ccc(O)c(O)c4Cc1c23
Show InChI InChI=1S/C18H19NO2/c1-2-10-3-4-11-8-19-9-15-12-5-6-16(20)18(21)14(12)7-13(10)17(11)15/h3-6,15,19-21H,2,7-9H2,1H3/t15-/m0/s1
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14n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86456
PNG
(4-hydroxydinapsoline hydrobromide)
Show SMILES Oc1ccc2[C@@H]3CNCc4c(O)ccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO3/c18-13-3-1-8-5-10-9(2-4-14(19)16(10)20)11-6-17-7-12(13)15(8)11/h1-4,11,17-20H,5-7H2/t11-/m0/s1
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15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86178
PNG
((+/-)-2-propyldinapsoline hydrobromide | Dinapsoli...)
Show SMILES CCCN1C[C@H]2c3ccc(O)c(O)c3Cc3cccc(C1)c23
Show InChI InChI=1S/C19H21NO2/c1-2-8-20-10-13-5-3-4-12-9-15-14(16(11-20)18(12)13)6-7-17(21)19(15)22/h3-7,16,21-22H,2,8-11H2,1H3/t16-/m0/s1
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15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86455
PNG
((+/-)-11-chlorodinapsoline hydrobromide | CAS_0 | ...)
Show SMILES Oc1cc(Cl)c2[C@@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H14ClNO2/c17-12-5-13(19)16(20)10-4-8-2-1-3-9-6-18-7-11(14(8)9)15(10)12/h1-3,5,11,18-20H,4,6-7H2/t11-/m1/s1
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50135339
PNG
(CHEMBL128709 | {5-[(Cyclopropylmethyl-propyl-amino...)
Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(C)cc(Cl)cc2Cl)nc1C(F)(F)F
Show InChI InChI=1S/C19H22Cl2F3N3S/c1-3-6-27(9-12-4-5-12)10-15-17(19(22,23)24)26-18(28-15)25-16-11(2)7-13(20)8-14(16)21/h7-8,12H,3-6,9-10H2,1-2H3,(H,25,26)
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314010
PNG
(CHEMBL1087167 | N,N-diallyl-8-mesityl-2-(trifluoro...)
Show SMILES Cc1cc(C)c(N2CCCn3c2nc(c3C(=O)N(CC=C)CC=C)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C23H27F3N4O/c1-6-9-28(10-7-2)21(31)19-20(23(24,25)26)27-22-29(11-8-12-30(19)22)18-16(4)13-15(3)14-17(18)5/h6-7,13-14H,1-2,8-12H2,3-5H3
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19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50054245
PNG
(5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl
Show InChI InChI=1S/C18H20Cl4N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25)
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20n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells


Bioorg Med Chem Lett 15: 3870-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.117
BindingDB Entry DOI: 10.7270/Q269733T
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50054245
PNG
(5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl
Show InChI InChI=1S/C18H20Cl4N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25)
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20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50054245
PNG
(5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl
Show InChI InChI=1S/C18H20Cl4N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25)
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20n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells


Bioorg Med Chem Lett 15: 3870-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.117
BindingDB Entry DOI: 10.7270/Q269733T
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314011
PNG
(CHEMBL1088478 | N-(cyclobutylmethyl)-N-((8-mesityl...)
Show SMILES CCCN(CC1CCC1)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
Show InChI InChI=1S/C25H35F3N4/c1-5-10-30(15-20-8-6-9-20)16-21-23(25(26,27)28)29-24-31(21)11-7-12-32(24)22-18(3)13-17(2)14-19(22)4/h13-14,20H,5-12,15-16H2,1-4H3
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21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50135340
PNG
((2-Bromo-4,6-dimethyl-phenyl)-{5-[(cyclopropylmeth...)
Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(C)cc(C)cc2Br)nc1C(F)(F)F
Show InChI InChI=1S/C20H25BrF3N3S/c1-4-7-27(10-14-5-6-14)11-16-18(20(22,23)24)26-19(28-16)25-17-13(3)8-12(2)9-15(17)21/h8-9,14H,4-7,10-11H2,1-3H3,(H,25,26)
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21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50135345
PNG
((2-Chloro-4,6-dimethyl-phenyl)-{5-[(cyclopropylmet...)
Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(C)cc(C)cc2Cl)nc1C(F)(F)F
Show InChI InChI=1S/C20H25ClF3N3S/c1-4-7-27(10-14-5-6-14)11-16-18(20(22,23)24)26-19(28-16)25-17-13(3)8-12(2)9-15(17)21/h8-9,14H,4-7,10-11H2,1-3H3,(H,25,26)
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23n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169569
PNG
(7-(2,4-Dichloro-6-methyl-phenyl)-2-ethyl-6,7-dihyd...)
Show SMILES CCc1nc2N(CCn2c1C(=O)N(CC1CC1)CC(F)(F)F)c1c(C)cc(Cl)cc1Cl
Show InChI InChI=1S/C21H23Cl2F3N4O/c1-3-16-18(19(31)28(10-13-4-5-13)11-21(24,25)26)30-7-6-29(20(30)27-16)17-12(2)8-14(22)9-15(17)23/h8-9,13H,3-7,10-11H2,1-2H3
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24n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells


Bioorg Med Chem Lett 15: 3870-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.117
BindingDB Entry DOI: 10.7270/Q269733T
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169563
PNG
(7-(2-Bromo-4,6-dimethyl-phenyl)-2-ethyl-6,7-dihydr...)
Show SMILES CCc1nc2N(CCn2c1C(=O)N(CC1CC1)CC(F)(F)F)c1c(C)cc(C)cc1Br
Show InChI InChI=1S/C22H26BrF3N4O/c1-4-17-19(20(31)28(11-15-5-6-15)12-22(24,25)26)30-8-7-29(21(30)27-17)18-14(3)9-13(2)10-16(18)23/h9-10,15H,4-8,11-12H2,1-3H3
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26n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells


Bioorg Med Chem Lett 15: 3870-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.117
BindingDB Entry DOI: 10.7270/Q269733T
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314012
PNG
(CHEMBL1088624 | N-(cyclobutylmethyl)-2,2,2-trifluo...)
Show SMILES Cc1cc(C)c(N2CCCn3c(CN(CC4CCC4)CC(F)(F)F)c(nc23)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C24H30F6N4/c1-15-10-16(2)20(17(3)11-15)34-9-5-8-33-19(21(24(28,29)30)31-22(33)34)13-32(14-23(25,26)27)12-18-6-4-7-18/h10-11,18H,4-9,12-14H2,1-3H3
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27n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86454
PNG
(6-ethyldinapsoline hydrobromide)
Show SMILES CCc1ccc2CNC[C@H]3c4ccc(O)c(O)c4Cc1c23
Show InChI InChI=1S/C18H19NO2/c1-2-10-3-4-11-8-19-9-15-12-5-6-16(20)18(21)14(12)7-13(10)17(11)15/h3-6,15,19-21H,2,7-9H2,1H3/t15-/m0/s1
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27n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86459
PNG
(4-fluorodinapsoline hydrobromide | CAS_0 | NSC_0)
Show SMILES Oc1ccc2[C@@H]3CNCc4c(F)ccc(Cc2c1O)c34
Show InChI InChI=1S/C16H14FNO2/c17-13-3-1-8-5-10-9(2-4-14(19)16(10)20)11-6-18-7-12(13)15(8)11/h1-4,11,18-20H,5-7H2/t11-/m0/s1
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50135337
PNG
(CHEMBL131533 | {5-[(Cyclopropylmethyl-propyl-amino...)
Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(Br)cc(C)cc2Br)nc1C(F)(F)F
Show InChI InChI=1S/C19H22Br2F3N3S/c1-3-6-27(9-12-4-5-12)10-15-17(19(22,23)24)26-18(28-15)25-16-13(20)7-11(2)8-14(16)21/h7-8,12H,3-6,9-10H2,1-2H3,(H,25,26)
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50135328
PNG
(CHEMBL131046 | {5-[(Cyclopropylmethyl-propyl-amino...)
Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)nc1C(F)(F)F
Show InChI InChI=1S/C19H19Cl2F6N3S/c1-2-5-30(8-10-3-4-10)9-14-16(19(25,26)27)29-17(31-14)28-15-12(20)6-11(7-13(15)21)18(22,23)24/h6-7,10H,2-5,8-9H2,1H3,(H,28,29)
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50309707
PNG
(4-fluorobenzaldehyde O-4-butoxyphenylcarbamoyl oxi...)
Show SMILES CCCCOc1ccc(NC(=O)O\N=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O3/c1-2-3-12-23-17-10-8-16(9-11-17)21-18(22)24-20-13-14-4-6-15(19)7-5-14/h4-11,13H,2-3,12H2,1H3,(H,21,22)/b20-13+
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30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Competitive inhibition of human FAAH expressed in human H4 cells


Bioorg Med Chem Lett 20: 1272-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.080
BindingDB Entry DOI: 10.7270/Q2H41RKR
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314013
PNG
(CHEMBL1088625 | N-(cyclopropylmethyl)-N-((8-mesity...)
Show SMILES CCN(CC1CC1)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
Show InChI InChI=1S/C23H31F3N4/c1-5-28(13-18-7-8-18)14-19-21(23(24,25)26)27-22-29(19)9-6-10-30(22)20-16(3)11-15(2)12-17(20)4/h11-12,18H,5-10,13-14H2,1-4H3
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31n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314007
PNG
(CHEMBL1087164 | N-(cyclopropylmethyl)-N-((8-mesity...)
Show SMILES CCCN(CC1CC1)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
Show InChI InChI=1S/C24H33F3N4/c1-5-9-29(14-19-7-8-19)15-20-22(24(25,26)27)28-23-30(20)10-6-11-31(23)21-17(3)12-16(2)13-18(21)4/h12-13,19H,5-11,14-15H2,1-4H3
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32n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50117181
PNG
((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...)
Show SMILES Oc1ccc2[C@@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1
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33n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86461
PNG
(1,2,3,11b-Tetrahydro[1]benzothiopyrano[4,3,2-de]is...)
Show SMILES Oc1ccc2C3CNCc4cccc(Sc2c1O)c34
Show InChI InChI=1S/C15H13NO2S/c17-11-5-4-9-10-7-16-6-8-2-1-3-12(13(8)10)19-15(9)14(11)18/h1-5,10,16-18H,6-7H2
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34.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314015
PNG
(2,2,2-trifluoro-N-((8-mesityl-2-(trifluoromethyl)-...)
Show SMILES Cc1cc(C)c(N2CCCn3c(CN(CCc4ccccc4)CC(F)(F)F)c(nc23)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C27H30F6N4/c1-18-14-19(2)23(20(3)15-18)37-12-7-11-36-22(24(27(31,32)33)34-25(36)37)16-35(17-26(28,29)30)13-10-21-8-5-4-6-9-21/h4-6,8-9,14-15H,7,10-13,16-17H2,1-3H3
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38n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50117181
PNG
((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...)
Show SMILES Oc1ccc2[C@@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1
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38n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86462
PNG
((+/-)-3-methyldinapsoline hydrobromide)
Show SMILES CC1NC[C@H]2c3ccc(O)c(O)c3Cc3cccc1c23
Show InChI InChI=1S/C17H17NO2/c1-9-11-4-2-3-10-7-13-12(5-6-15(19)17(13)20)14(8-18-9)16(10)11/h2-6,9,14,18-20H,7-8H2,1H3/t9?,14-/m0/s1
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40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169584
PNG
(2-Ethyl-7-(2,4,6-trimethyl-phenyl)-6,7-dihydro-5H-...)
Show SMILES CCc1nc2N(CCn2c1C(=O)N(CC1CC1)CC(F)(F)F)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C23H29F3N4O/c1-5-18-20(21(31)28(12-17-6-7-17)13-23(24,25)26)30-9-8-29(22(30)27-18)19-15(3)10-14(2)11-16(19)4/h10-11,17H,5-9,12-13H2,1-4H3
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41n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells


Bioorg Med Chem Lett 15: 3870-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.117
BindingDB Entry DOI: 10.7270/Q269733T
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169575
PNG
(7-(2-Chloro-4,6-dimethyl-phenyl)-2-ethyl-6,7-dihyd...)
Show SMILES CCc1nc2N(CCn2c1C(=O)N(CC1CC1)CC(F)(F)F)c1c(C)cc(C)cc1Cl
Show InChI InChI=1S/C22H26ClF3N4O/c1-4-17-19(20(31)28(11-15-5-6-15)12-22(24,25)26)30-8-7-29(21(30)27-17)18-14(3)9-13(2)10-16(18)23/h9-10,15H,4-8,11-12H2,1-3H3
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41n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells


Bioorg Med Chem Lett 15: 3870-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.117
BindingDB Entry DOI: 10.7270/Q269733T
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169559
PNG
(2-Ethyl-7-(2,4,6-trimethyl-phenyl)-6,7-dihydro-5H-...)
Show SMILES CCCN(CC1CC1)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H34N4O/c1-6-10-26(15-19-8-9-19)23(29)22-20(7-2)25-24-27(11-12-28(22)24)21-17(4)13-16(3)14-18(21)5/h13-14,19H,6-12,15H2,1-5H3
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42n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells


Bioorg Med Chem Lett 15: 3870-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.117
BindingDB Entry DOI: 10.7270/Q269733T
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314016
PNG
(CHEMBL1077156 | N-((8-mesityl-2-(trifluoromethyl)-...)
Show SMILES CCCN(CC=C)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
Show InChI InChI=1S/C23H31F3N4/c1-6-9-28(10-7-2)15-19-21(23(24,25)26)27-22-29(19)11-8-12-30(22)20-17(4)13-16(3)14-18(20)5/h6,13-14H,1,7-12,15H2,2-5H3
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48n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50135334
PNG
((2-Bromo-4-isopropyl-phenyl)-{5-[(cyclopropylmethy...)
Show SMILES CCCN(CC1CC1)Cc1sc(nc1C(F)(F)F)N(CC)c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C23H31BrF3N3S/c1-5-11-29(13-16-7-8-16)14-20-21(23(25,26)27)28-22(31-20)30(6-2)19-10-9-17(15(3)4)12-18(19)24/h9-10,12,15-16H,5-8,11,13-14H2,1-4H3
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56n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50117182
PNG
(2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinoline-...)
Show SMILES Oc1ccc2C3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2
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56n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50135343
PNG
(CHEMBL128713 | {5-[(Cyclopropylmethyl-propyl-amino...)
Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(C)cc(C)cc2C)nc1C(F)(F)F
Show InChI InChI=1S/C21H28F3N3S/c1-5-8-27(11-16-6-7-16)12-17-19(21(22,23)24)26-20(28-17)25-18-14(3)9-13(2)10-15(18)4/h9-10,16H,5-8,11-12H2,1-4H3,(H,25,26)
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60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169576
PNG
(2-Ethyl-7-(2,4,6-trimethyl-phenyl)-6,7-dihydro-5H-...)
Show SMILES CCCN(CC(F)(F)F)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C22H29F3N4O/c1-6-8-27(13-22(23,24)25)20(30)19-17(7-2)26-21-28(9-10-29(19)21)18-15(4)11-14(3)12-16(18)5/h11-12H,6-10,13H2,1-5H3
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61n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells


Bioorg Med Chem Lett 15: 3870-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.117
BindingDB Entry DOI: 10.7270/Q269733T
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314017
PNG
(3,3,3-trifluoro-N-((8-mesityl-2-(trifluoromethyl)-...)
Show SMILES CCCN(CCC(F)(F)F)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
Show InChI InChI=1S/C23H30F6N4/c1-5-8-31(11-7-22(24,25)26)14-18-20(23(27,28)29)30-21-32(18)9-6-10-33(21)19-16(3)12-15(2)13-17(19)4/h12-13H,5-11,14H2,1-4H3
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63n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169589
PNG
(2-Ethyl-7-(2,4,6-trimethyl-phenyl)-6,7-dihydro-5H-...)
Show SMILES CCc1nc2N(CCn2c1C(=O)N(CC1CC1)CC(F)(F)C(F)(F)F)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H29F5N4O/c1-5-18-20(21(34)31(12-17-6-7-17)13-23(25,26)24(27,28)29)33-9-8-32(22(33)30-18)19-15(3)10-14(2)11-16(19)4/h10-11,17H,5-9,12-13H2,1-4H3
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63n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells


Bioorg Med Chem Lett 15: 3870-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.117
BindingDB Entry DOI: 10.7270/Q269733T
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314014
PNG
(CHEMBL1088626 | N-((8-mesityl-2-(trifluoromethyl)-...)
Show SMILES CCCN(CCc1ccccc1)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
Show InChI InChI=1S/C28H35F3N4/c1-5-13-33(16-12-23-10-7-6-8-11-23)19-24-26(28(29,30)31)32-27-34(24)14-9-15-35(27)25-21(3)17-20(2)18-22(25)4/h6-8,10-11,17-18H,5,9,12-16,19H2,1-4H3
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67n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50117182
PNG
(2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinoline-...)
Show SMILES Oc1ccc2C3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2
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67n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50135352
PNG
((2-Chloro-4,6-dimethyl-phenyl)-{5-[(cyclopropylmet...)
Show SMILES CCCN(CC1CC1)Cc1sc(nc1C(F)(F)F)N(CC)c1c(C)cc(C)cc1Cl
Show InChI InChI=1S/C22H29ClF3N3S/c1-5-9-28(12-16-7-8-16)13-18-20(22(24,25)26)27-21(30-18)29(6-2)19-15(4)10-14(3)11-17(19)23/h10-11,16H,5-9,12-13H2,1-4H3
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67n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
More data for this
Ligand-Target Pair
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