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12 similar compounds to monomer 50354032

Compile data set for download or QSAR
Wt: 387.9
BDBM50354011
Wt: 401.9
BDBM50354012
Wt: 415.9
BDBM50354013
Wt: 427.9
BDBM50354014
Wt: 413.9
BDBM50354015
Wt: 427.9
BDBM50354016
Wt: 431.9
BDBM50354017
Wt: 373.8
BDBM50354033
Wt: 373.8
BDBM50354034
Wt: 387.9
BDBM50354035
Wt: 401.9
BDBM50354036
Wt: 356.8
BDBM50395266

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50354011,50354012,50354013,50354014,50354015,50354016,50354017,50354033,50354034,50354035,50354036,50395266   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50354011
PNG
(CHEMBL1828896)
Show SMILES CCCN(CCC)c1cc(nc2ccnn12)N(C)c1ccc(OC)cc1Cl
Show InChI InChI=1S/C20H26ClN5O/c1-5-11-25(12-6-2)20-14-19(23-18-9-10-22-26(18)20)24(3)17-8-7-15(27-4)13-16(17)21/h7-10,13-14H,5-6,11-12H2,1-4H3
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n/an/a 20n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50395266
PNG
(CHEMBL2163607)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccccc2Cl)n2nccc2n1
Show InChI InChI=1S/C18H21ClN6/c19-14-3-1-2-4-15(14)23-18-11-16(24-17-9-10-21-25(17)18)22-13-7-5-12(20)6-8-13/h1-4,9-13,23H,5-8,20H2,(H,22,24)/t12-,13-
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n/an/a 200n/an/an/an/an/an/a



Teijin Pharma Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter


J Med Chem 55: 6700-15 (2012)


Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354013
PNG
(CHEMBL1828898)
Show SMILES CCCN(CCC)c1cc(nc2ccnn12)N(CCC)c1ccc(OC)cc1Cl
Show InChI InChI=1S/C22H30ClN5O/c1-5-12-26(13-6-2)22-16-21(25-20-10-11-24-28(20)22)27(14-7-3)19-9-8-17(29-4)15-18(19)23/h8-11,15-16H,5-7,12-14H2,1-4H3
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Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354014
PNG
(CHEMBL1828899)
Show SMILES CCCN(CCC)c1cc(nc2ccnn12)N(CC(C)=C)c1ccc(OC)cc1Cl
Show InChI InChI=1S/C23H30ClN5O/c1-6-12-27(13-7-2)23-15-22(26-21-10-11-25-29(21)23)28(16-17(3)4)20-9-8-18(30-5)14-19(20)24/h8-11,14-15H,3,6-7,12-13,16H2,1-2,4-5H3
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n/an/a 76.7n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354015
PNG
(CHEMBL1828900)
Show SMILES CCCN(CCC)c1cc(nc2ccnn12)N(CC=C)c1ccc(OC)cc1Cl
Show InChI InChI=1S/C22H28ClN5O/c1-5-12-26(13-6-2)22-16-21(25-20-10-11-24-28(20)22)27(14-7-3)19-9-8-17(29-4)15-18(19)23/h7-11,15-16H,3,5-6,12-14H2,1-2,4H3
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n/an/a 4.40n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354016
PNG
(CHEMBL1828901)
Show SMILES CCCN(CCC)c1cc(nc2ccnn12)N(CC1CC1)c1ccc(OC)cc1Cl
Show InChI InChI=1S/C23H30ClN5O/c1-4-12-27(13-5-2)23-15-22(26-21-10-11-25-29(21)23)28(16-17-6-7-17)20-9-8-18(30-3)14-19(20)24/h8-11,14-15,17H,4-7,12-13,16H2,1-3H3
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n/an/a 213n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354017
PNG
(CHEMBL1830513)
Show SMILES CCCN(CCC)c1cc(nc2ccnn12)N(CCOC)c1ccc(OC)cc1Cl
Show InChI InChI=1S/C22H30ClN5O2/c1-5-11-26(12-6-2)22-16-21(25-20-9-10-24-28(20)22)27(13-14-29-3)19-8-7-17(30-4)15-18(19)23/h7-10,15-16H,5-6,11-14H2,1-4H3
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Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354033
PNG
(CHEMBL1828887)
Show SMILES CCC(CC)Nc1c(C)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
Show InChI InChI=1S/C19H24ClN5O/c1-5-13(6-2)22-19-12(3)18(24-17-9-10-21-25(17)19)23-16-8-7-14(26-4)11-15(16)20/h7-11,13,22H,5-6H2,1-4H3,(H,23,24)
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n/an/an/an/a 7.40n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP accumulation after 15 mins by cAMP en...


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354034
PNG
(CHEMBL1828888)
Show SMILES CCCN(CCC)c1cc(Nc2ccc(OC)cc2Cl)nc2ccnn12
Show InChI InChI=1S/C19H24ClN5O/c1-4-10-24(11-5-2)19-13-17(23-18-8-9-21-25(18)19)22-16-7-6-14(26-3)12-15(16)20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,23)
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n/an/an/an/a 53n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP accumulation after 15 mins by cAMP en...


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354035
PNG
(CHEMBL1828889)
Show SMILES CCCN(CCC)c1c(C)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
Show InChI InChI=1S/C20H26ClN5O/c1-5-11-25(12-6-2)20-14(3)19(24-18-9-10-22-26(18)20)23-17-8-7-15(27-4)13-16(17)21/h7-10,13H,5-6,11-12H2,1-4H3,(H,23,24)
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Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP accumulation after 15 mins by cAMP en...


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354036
PNG
(CHEMBL1828890)
Show SMILES CCCN(CCC)c1c(CC)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
Show InChI InChI=1S/C21H28ClN5O/c1-5-12-26(13-6-2)21-16(7-3)20(25-19-10-11-23-27(19)21)24-18-9-8-15(28-4)14-17(18)22/h8-11,14H,5-7,12-13H2,1-4H3,(H,24,25)
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n/an/an/an/a 8.60n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP accumulation after 15 mins by cAMP en...


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354011
PNG
(CHEMBL1828896)
Show SMILES CCCN(CCC)c1cc(nc2ccnn12)N(C)c1ccc(OC)cc1Cl
Show InChI InChI=1S/C20H26ClN5O/c1-5-11-25(12-6-2)20-14-19(23-18-9-10-22-26(18)20)24(3)17-8-7-15(27-4)13-16(17)21/h7-10,13-14H,5-6,11-12H2,1-4H3
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Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP accumulation after 15 mins by cAMP en...


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354013
PNG
(CHEMBL1828898)
Show SMILES CCCN(CCC)c1cc(nc2ccnn12)N(CCC)c1ccc(OC)cc1Cl
Show InChI InChI=1S/C22H30ClN5O/c1-5-12-26(13-6-2)22-16-21(25-20-10-11-24-28(20)22)27(14-7-3)19-9-8-17(29-4)15-18(19)23/h8-11,15-16H,5-7,12-14H2,1-4H3
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n/an/an/an/a 75.7n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP accumulation after 15 mins by cAMP en...


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354014
PNG
(CHEMBL1828899)
Show SMILES CCCN(CCC)c1cc(nc2ccnn12)N(CC(C)=C)c1ccc(OC)cc1Cl
Show InChI InChI=1S/C23H30ClN5O/c1-6-12-27(13-7-2)23-15-22(26-21-10-11-25-29(21)23)28(16-17(3)4)20-9-8-18(30-5)14-19(20)24/h8-11,14-15H,3,6-7,12-13,16H2,1-2,4-5H3
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n/an/an/an/a 856n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP accumulation after 15 mins by cAMP en...


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354015
PNG
(CHEMBL1828900)
Show SMILES CCCN(CCC)c1cc(nc2ccnn12)N(CC=C)c1ccc(OC)cc1Cl
Show InChI InChI=1S/C22H28ClN5O/c1-5-12-26(13-6-2)22-16-21(25-20-10-11-24-28(20)22)27(14-7-3)19-9-8-17(29-4)15-18(19)23/h7-11,15-16H,3,5-6,12-14H2,1-2,4H3
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n/an/an/an/a 28.9n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP accumulation after 15 mins by cAMP en...


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50354035
PNG
(CHEMBL1828889)
Show SMILES CCCN(CCC)c1c(C)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
Show InChI InChI=1S/C20H26ClN5O/c1-5-11-25(12-6-2)20-14(3)19(24-18-9-10-22-26(18)20)23-17-8-7-15(27-4)13-16(17)21/h7-10,13H,5-6,11-12H2,1-4H3,(H,23,24)
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Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat CRF1 receptor expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP accumulation after 15 mins by cAMP enzy...


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354034
PNG
(CHEMBL1828888)
Show SMILES CCCN(CCC)c1cc(Nc2ccc(OC)cc2Cl)nc2ccnn12
Show InChI InChI=1S/C19H24ClN5O/c1-4-10-24(11-5-2)19-13-17(23-18-8-9-21-25(18)19)22-16-7-6-14(26-3)12-15(16)20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,23)
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n/an/a 61n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354035
PNG
(CHEMBL1828889)
Show SMILES CCCN(CCC)c1c(C)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
Show InChI InChI=1S/C20H26ClN5O/c1-5-11-25(12-6-2)20-14(3)19(24-18-9-10-22-26(18)20)23-17-8-7-15(27-4)13-16(17)21/h7-10,13H,5-6,11-12H2,1-4H3,(H,23,24)
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Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354036
PNG
(CHEMBL1828890)
Show SMILES CCCN(CCC)c1c(CC)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
Show InChI InChI=1S/C21H28ClN5O/c1-5-12-26(13-6-2)21-16(7-3)20(25-19-10-11-23-27(19)21)24-18-9-8-15(28-4)14-17(18)22/h8-11,14H,5-7,12-13H2,1-4H3,(H,24,25)
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Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354012
PNG
(CHEMBL1828897)
Show SMILES CCCN(CCC)c1cc(nc2ccnn12)N(CC)c1ccc(OC)cc1Cl
Show InChI InChI=1S/C21H28ClN5O/c1-5-12-25(13-6-2)21-15-20(24-19-10-11-23-27(19)21)26(7-3)18-9-8-16(28-4)14-17(18)22/h8-11,14-15H,5-7,12-13H2,1-4H3
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n/an/an/an/a 18.6n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP accumulation after 15 mins by cAMP en...


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354033
PNG
(CHEMBL1828887)
Show SMILES CCC(CC)Nc1c(C)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
Show InChI InChI=1S/C19H24ClN5O/c1-5-13(6-2)22-19-12(3)18(24-17-9-10-21-25(17)19)23-16-8-7-14(26-4)11-15(16)20/h7-11,13,22H,5-6H2,1-4H3,(H,23,24)
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n/an/a 7.40n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50395266
PNG
(CHEMBL2163607)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccccc2Cl)n2nccc2n1
Show InChI InChI=1S/C18H21ClN6/c19-14-3-1-2-4-15(14)23-18-11-16(24-17-9-10-21-25(17)18)22-13-7-5-12(20)6-8-13/h1-4,9-13,23H,5-8,20H2,(H,22,24)/t12-,13-
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n/an/a 390n/an/an/an/an/an/a



Teijin Pharma Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter


J Med Chem 55: 6700-15 (2012)


Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354012
PNG
(CHEMBL1828897)
Show SMILES CCCN(CCC)c1cc(nc2ccnn12)N(CC)c1ccc(OC)cc1Cl
Show InChI InChI=1S/C21H28ClN5O/c1-5-12-25(13-6-2)21-15-20(24-19-10-11-23-27(19)21)26(7-3)18-9-8-16(28-4)14-17(18)22/h8-11,14-15H,5-7,12-13H2,1-4H3
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n/an/a 31.6n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair