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PubMed code 19361210

Compile data set for download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
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))		BDBM29466
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-35)
Show SMILES CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1cc(F)c(OC)cc1Cl |(2.48,7.45,;.99,7.08,;-.08,8.19,;.35,9.67,;1.85,10.04,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C19H23ClFN5O/c1-6-12(7-2)24-19-23-11(4)22-18-17(10(3)25-26(18)19)13-8-15(21)16(27-5)9-14(13)20/h8-9,12H,6-7H2,1-5H3,(H,22,23,24)
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n/an/a 1n/an/an/an/an/a25



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29452
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-21)
Show SMILES COc1cc(C)c(-c2c(C)nn3c(nc(C)nc23)N(CC=C)CC=C)c(OC)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;-2.59,8.98,;-4.1,8.68,;-5.12,9.84,;-1.66,.52,;-2.99,1.29,;-4.33,.52,;-1.66,-1.02,)|
Show InChI InChI=1S/C22H27N5O2/c1-8-10-26(11-9-2)22-24-16(5)23-21-20(15(4)25-27(21)22)19-14(3)12-17(28-6)13-18(19)29-7/h8-9,12-13H,1-2,10-11H2,3-7H3
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n/an/a 1n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29468
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-37)
Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cc(F)c(OC)cc1Cl |(-2.73,13.03,;-3.19,11.56,;-2.15,10.43,;-2.61,8.96,;-1.57,7.83,;-.08,8.19,;.35,9.67,;1.85,10.04,;2.28,11.52,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C20H25ClFN5O3/c1-12-18(14-10-16(22)17(30-5)11-15(14)21)19-23-13(2)24-20(27(19)25-12)26(6-8-28-3)7-9-29-4/h10-11H,6-9H2,1-5H3
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n/an/a 1.18n/an/an/an/an/a25



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29450
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-19)
Show SMILES CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-4.1,8.68,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
Show InChI InChI=1S/C20H27N5O2/c1-8-24(9-2)20-22-14(5)21-19-18(13(4)23-25(19)20)17-12(3)10-15(26-6)11-16(17)27-7/h10-11H,8-9H2,1-7H3
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n/an/a 1.20n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29453
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-22)
Show SMILES CCCN(CC1CC1)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(-5.12,9.84,;-4.1,8.68,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;.04,11.08,;1.52,10.67,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
Show InChI InChI=1S/C23H31N5O2/c1-7-10-27(13-17-8-9-17)23-25-16(4)24-22-21(15(3)26-28(22)23)20-14(2)11-18(29-5)12-19(20)30-6/h11-12,17H,7-10,13H2,1-6H3
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n/an/a 1.48n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29467
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-36)
Show SMILES CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1cc(F)c(OC)cc1Cl |(-2.15,10.43,;-2.61,8.96,;-1.57,7.83,;-.08,8.19,;.35,9.67,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C18H21ClFN5O/c1-6-24(7-2)18-22-11(4)21-17-16(10(3)23-25(17)18)12-8-14(20)15(26-5)9-13(12)19/h8-9H,6-7H2,1-5H3
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Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29456
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-25)
Show SMILES CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-4.1,8.68,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
Show InChI InChI=1S/C22H31N5O2/c1-8-10-11-26(9-2)22-24-16(5)23-21-20(15(4)25-27(21)22)19-14(3)12-17(28-6)13-18(19)29-7/h12-13H,8-11H2,1-7H3
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n/an/a 1.72n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29457
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-26)
Show SMILES CCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(-4.1,8.68,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;2.43,11.35,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
Show InChI InChI=1S/C21H29N5O3/c1-8-25(9-10-27-5)21-23-15(4)22-20-19(14(3)24-26(20)21)18-13(2)11-16(28-6)12-17(18)29-7/h11-12H,8-10H2,1-7H3
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n/an/a 1.78n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29458
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-27)
Show SMILES COCCN(CC1CC1)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-4.1,8.68,;-5.55,9.2,;-5.28,7.69,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
Show InChI InChI=1S/C23H31N5O3/c1-14-11-18(30-5)12-19(31-6)20(14)21-15(2)26-28-22(21)24-16(3)25-23(28)27(9-10-29-4)13-17-7-8-17/h11-12,17H,7-10,13H2,1-6H3
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n/an/a 1.80n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29440
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-9)
Show SMILES COc1ccc(-c2c(C)nn3c(nc(C)nc23)N(CCC#N)C2CC2)c(C)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;-1.66,-1.02,;-1.66,.52,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;3.43,10.29,;-2.59,8.98,;-3.36,10.32,;-4.13,8.98,;1.01,.52,;2.34,1.29,;1.01,-1.02,)|
Show InChI InChI=1S/C21H24N6O/c1-13-12-17(28-4)8-9-18(13)19-14(2)25-27-20(19)23-15(3)24-21(27)26(11-5-10-22)16-6-7-16/h8-9,12,16H,5-7,11H2,1-4H3
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n/an/a 1.88n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29465
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-34)
Show SMILES CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1cc(F)c(OC)cc1C |(2.48,7.45,;.99,7.08,;-.08,8.19,;.35,9.67,;1.85,10.04,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C20H26FN5O/c1-7-14(8-2)24-20-23-13(5)22-19-18(12(4)25-26(19)20)15-10-16(21)17(27-6)9-11(15)3/h9-10,14H,7-8H2,1-6H3,(H,22,23,24)
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n/an/a 1.90n/an/an/an/an/a25



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29438
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-7)
Show SMILES CCCN(CC1CC1)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;.28,11.12,;1.68,10.48,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C22H29N5O/c1-6-11-26(13-17-7-8-17)22-24-16(4)23-21-20(15(3)25-27(21)22)19-10-9-18(28-5)12-14(19)2/h9-10,12,17H,6-8,11,13H2,1-5H3
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Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29464
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-33)
Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cc(C)c(OC)cc1C |(2.28,11.52,;1.85,10.04,;.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.64,8.94,;-2.24,10.43,;-3.33,11.51,;-2.93,13,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C22H31N5O3/c1-14-13-19(30-7)15(2)12-18(14)20-16(3)25-27-21(20)23-17(4)24-22(27)26(8-10-28-5)9-11-29-6/h12-13H,8-11H2,1-7H3
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n/an/a 1.98n/an/an/an/an/a25



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29448
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-17)
Show SMILES CCCC(C)Nc1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(3.51,6.21,;2.45,7.33,;.95,6.97,;-.06,8.13,;.43,9.59,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
Show InChI InChI=1S/C21H29N5O2/c1-8-9-13(3)22-21-24-15(5)23-20-19(14(4)25-26(20)21)18-12(2)10-16(27-6)11-17(18)28-7/h10-11,13H,8-9H2,1-7H3,(H,22,23,24)
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n/an/a 2.14n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29439
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-8)
Show SMILES CCCN(CCC#N)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;3.43,10.29,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C21H26N6O/c1-6-11-26(12-7-10-22)21-24-16(4)23-20-19(15(3)25-27(20)21)18-9-8-17(28-5)13-14(18)2/h8-9,13H,6-7,11-12H2,1-5H3
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n/an/a 2.16n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29437
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-6)
Show SMILES CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.1,10.44,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C21H29N5O/c1-7-9-12-25(8-2)21-23-16(5)22-20-19(15(4)24-26(20)21)18-11-10-17(27-6)13-14(18)3/h10-11,13H,7-9,12H2,1-6H3
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n/an/a 2.30n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29460
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-29)
Show SMILES CCN(CCC#N)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;3.43,10.29,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
Show InChI InChI=1S/C21H26N6O2/c1-7-26(10-8-9-22)21-24-15(4)23-20-19(14(3)25-27(20)21)18-13(2)11-16(28-5)12-17(18)29-6/h11-12H,7-8,10H2,1-6H3
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n/an/a 2.48n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29436
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-5)
Show SMILES CCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C21H29N5O/c1-7-11-25(12-8-2)21-23-16(5)22-20-19(15(4)24-26(20)21)18-10-9-17(27-6)13-14(18)3/h9-10,13H,7-8,11-12H2,1-6H3
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n/an/a 2.58n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29462
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-31)
Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1C |(-2.84,13.01,;-3.27,11.53,;-2.21,10.42,;-2.64,8.94,;-1.57,7.83,;-.08,8.19,;.35,9.67,;1.85,10.04,;2.28,11.52,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,)|
Show InChI InChI=1S/C22H31N5O3/c1-14-12-18(30-7)13-15(2)19(14)20-16(3)25-27-21(20)23-17(4)24-22(27)26(8-10-28-5)9-11-29-6/h12-13H,8-11H2,1-7H3
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n/an/a 2.74n/an/an/an/an/a25



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29446
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-15)
Show SMILES CC[C@H](C)Nc1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |r,wU:2.2,(2.45,7.33,;.95,6.97,;-.06,8.13,;.43,9.59,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
Show InChI InChI=1S/C20H27N5O2/c1-8-12(3)21-20-23-14(5)22-19-18(13(4)24-25(19)20)17-11(2)9-15(26-6)10-16(17)27-7/h9-10,12H,8H2,1-7H3,(H,21,22,23)/t12-/m0/s1
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n/an/a 2.90n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29461
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-30)
Show SMILES CCC1CCCCN1c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(2.48,7.45,;.99,7.08,;-.08,8.19,;.35,9.67,;-.71,10.78,;-2.21,10.42,;-2.64,8.94,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
Show InChI InChI=1S/C23H31N5O2/c1-7-17-10-8-9-11-27(17)23-25-16(4)24-22-21(15(3)26-28(22)23)20-14(2)12-18(29-5)13-19(20)30-6/h12-13,17H,7-11H2,1-6H3
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n/an/a 3.26n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29451
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-20)
Show SMILES CCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-4.1,8.68,;-5.12,9.84,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
Show InChI InChI=1S/C22H31N5O2/c1-8-10-26(11-9-2)22-24-16(5)23-21-20(15(4)25-27(21)22)19-14(3)12-17(28-6)13-18(19)29-7/h12-13H,8-11H2,1-7H3
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n/an/a 3.72n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29433
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-2)
Show SMILES CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C19H25N5O/c1-6-15(7-2)22-19-21-13(4)20-18-17(12(3)23-24(18)19)14-8-10-16(25-5)11-9-14/h8-11,15H,6-7H2,1-5H3,(H,20,21,22)
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n/an/a 3.80n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29471
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-40)
Show SMILES CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1cc(OC)c(OC)cc1Br |(.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.61,8.96,;-2.15,10.43,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-2.99,-3.33,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C19H24BrN5O2/c1-7-24(8-2)19-22-12(4)21-18-17(11(3)23-25(18)19)13-9-15(26-5)16(27-6)10-14(13)20/h9-10H,7-8H2,1-6H3
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n/an/a 4.06n/an/an/an/an/a25



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29434
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-3)
Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-2.62,13.06,;-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;2.43,11.35,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C21H29N5O3/c1-14-13-17(29-6)7-8-18(14)19-15(2)24-26-20(19)22-16(3)23-21(26)25(9-11-27-4)10-12-28-5/h7-8,13H,9-12H2,1-6H3
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n/an/a 4.20n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29463
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-32)
Show SMILES CCCCN(C)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1C |(2.28,11.52,;1.85,10.04,;.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.64,8.94,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,)|
Show InChI InChI=1S/C21H29N5O/c1-8-9-10-25(6)21-23-16(5)22-20-19(15(4)24-26(20)21)18-13(2)11-17(27-7)12-14(18)3/h11-12H,8-10H2,1-7H3
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n/an/a 4.22n/an/an/an/an/a25



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29455
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-24)
Show SMILES COc1cc(C)c(-c2c(C)nn3c(nc(C)nc23)N(C)CC=C)c(OC)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-1.57,7.83,;-.06,8.13,;-2.59,8.98,;-4.1,8.68,;-5.12,9.84,;-1.66,.52,;-2.99,1.29,;-4.33,.52,;-1.66,-1.02,)|
Show InChI InChI=1S/C20H25N5O2/c1-8-9-24(5)20-22-14(4)21-19-18(13(3)23-25(19)20)17-12(2)10-15(26-6)11-16(17)27-7/h8,10-11H,1,9H2,2-7H3
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n/an/a 4.92n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29472
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-41)
Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cc(OC)c(OC)cc1Br |(2.28,11.52,;1.85,10.04,;.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.61,8.96,;-2.15,10.43,;-3.24,11.52,;-2.84,13.01,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-2.99,-3.33,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C21H28BrN5O4/c1-13-19(15-11-17(30-5)18(31-6)12-16(15)22)20-23-14(2)24-21(27(20)25-13)26(7-9-28-3)8-10-29-4/h11-12H,7-10H2,1-6H3
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n/an/a 4.99n/an/an/an/an/a25



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29445
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-14)
Show SMILES CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(1.94,9.89,;.43,9.59,;-.06,8.13,;.95,6.97,;2.45,7.33,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
Show InChI InChI=1S/C21H29N5O2/c1-8-15(9-2)24-21-23-14(5)22-20-19(13(4)25-26(20)21)18-12(3)10-16(27-6)11-17(18)28-7/h10-11,15H,8-9H2,1-7H3,(H,22,23,24)
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n/an/a 5n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29447
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-16)
Show SMILES CC[C@@H](C)Nc1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |r,wD:2.2,(2.45,7.33,;.95,6.97,;-.06,8.13,;.43,9.59,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
Show InChI InChI=1S/C20H27N5O2/c1-8-12(3)21-20-23-14(5)22-19-18(13(4)24-25(19)20)17-11(2)9-15(26-6)10-16(17)27-7/h9-10,12H,8H2,1-7H3,(H,21,22,23)/t12-/m1/s1
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n/an/a 5.70n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29470
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-39)
Show SMILES CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1cc(OC)c(OC)cc1Br |(1.85,10.04,;.35,9.67,;-.08,8.19,;.99,7.08,;2.48,7.47,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-2.99,-3.33,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C20H26BrN5O2/c1-7-13(8-2)24-20-23-12(4)22-19-18(11(3)25-26(19)20)14-9-16(27-5)17(28-6)10-15(14)21/h9-10,13H,7-8H2,1-6H3,(H,22,23,24)
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n/an/a 6.08n/an/an/an/an/a25



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29435
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-4)
Show SMILES CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C19H25N5O/c1-7-23(8-2)19-21-14(5)20-18-17(13(4)22-24(18)19)16-10-9-15(25-6)11-12(16)3/h9-11H,7-8H2,1-6H3
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n/an/a 6.08n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29454
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-23)
Show SMILES CCCN(C)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(-5.12,9.84,;-4.1,8.68,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
Show InChI InChI=1S/C20H27N5O2/c1-8-9-24(5)20-22-14(4)21-19-18(13(3)23-25(19)20)17-12(2)10-15(26-6)11-16(17)27-7/h10-11H,8-9H2,1-7H3
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n/an/a 6.48n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29459
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-28)
Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.1,10.44,;-3.11,11.6,;-2.62,13.06,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
Show InChI InChI=1S/C22H31N5O4/c1-14-12-17(30-6)13-18(31-7)19(14)20-15(2)25-27-21(20)23-16(3)24-22(27)26(8-10-28-4)9-11-29-5/h12-13H,8-11H2,1-7H3
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n/an/a 7.96n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29469
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-38)
Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cc(OC)c(OC)cc1Cl |(-2.73,13.03,;-3.19,11.56,;-2.15,10.43,;-2.61,8.96,;-1.57,7.83,;-.08,8.19,;.35,9.67,;1.85,10.04,;2.28,11.52,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-2.99,-3.33,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C21H28ClN5O4/c1-13-19(15-11-17(30-5)18(31-6)12-16(15)22)20-23-14(2)24-21(27(20)25-13)26(7-9-28-3)8-10-29-4/h11-12H,7-10H2,1-6H3
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n/an/a 8n/an/an/an/an/a25



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29442
PNG
(CHEMBL524616 | Pyrazolo[1,5-a]-1,3,5-triazine, 12-...)
Show SMILES COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(2.32,11.47,;1.92,9.99,;.43,9.59,;-.06,8.13,;.95,6.97,;2.44,7.37,;3.53,6.28,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C20H27N5O3/c1-12-9-16(28-6)7-8-17(12)18-13(2)24-25-19(18)21-14(3)22-20(25)23-15(10-26-4)11-27-5/h7-9,15H,10-11H2,1-6H3,(H,21,22,23)
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n/an/a 9.70n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29475
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-44)
Show SMILES CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)c(C)c1C |(1.85,10.04,;.35,9.67,;-.08,8.19,;.99,7.08,;2.48,7.48,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;2.34,-1.79,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C21H29N5O/c1-8-16(9-2)24-21-23-15(6)22-20-19(14(5)25-26(20)21)17-10-11-18(27-7)13(4)12(17)3/h10-11,16H,8-9H2,1-7H3,(H,22,23,24)
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n/an/a 11.3n/an/an/an/an/a25



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29432
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-1)
Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C20H27N5O3/c1-14-18(16-6-8-17(28-5)9-7-16)19-21-15(2)22-20(25(19)23-14)24(10-12-26-3)11-13-27-4/h6-9H,10-13H2,1-5H3
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n/an/a 11.5n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29473
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-42)
Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cc(OC)c(OC)cc1C |(2.28,11.52,;1.85,10.04,;.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.61,8.96,;-2.15,10.43,;-3.24,11.52,;-2.84,13.01,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-2.99,-3.33,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C22H31N5O4/c1-14-12-18(30-6)19(31-7)13-17(14)20-15(2)25-27-21(20)23-16(3)24-22(27)26(8-10-28-4)9-11-29-5/h12-13H,8-11H2,1-7H3
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n/an/a 13.7n/an/an/an/an/a25



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29449
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-18)
Show SMILES COc1cc(C)c(-c2c(C)nn3c(NC4CCC4)nc(C)nc23)c(OC)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-1.57,7.83,;-.06,8.13,;1.01,9.24,;2.12,8.17,;1.05,7.06,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-1.66,.52,;-2.99,1.29,;-4.33,.52,;-1.66,-1.02,)|
Show InChI InChI=1S/C20H25N5O2/c1-11-9-15(26-4)10-16(27-5)17(11)18-12(2)24-25-19(18)21-13(3)22-20(25)23-14-7-6-8-14/h9-10,14H,6-8H2,1-5H3,(H,21,22,23)
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n/an/a 17.4n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29443
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-12)
Show SMILES CCOCC(COCC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(3.8,11.87,;2.32,11.47,;1.92,9.99,;.43,9.59,;-.06,8.13,;.95,6.97,;2.44,7.37,;3.53,6.28,;5.02,6.68,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C22H31N5O3/c1-7-29-12-17(13-30-8-2)25-22-24-16(5)23-21-20(15(4)26-27(21)22)19-10-9-18(28-6)11-14(19)3/h9-11,17H,7-8,12-13H2,1-6H3,(H,23,24,25)
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n/an/a 19.3n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29444
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-13)
Show SMILES COc1ccc(-c2c(C)nn3c(NC4CCC4)nc(C)nc23)c(C)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;-1.66,-1.02,;-1.66,.52,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-1.57,7.83,;-.06,8.13,;.81,9.4,;2.08,8.52,;1.21,7.26,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;1.01,.52,;2.34,1.29,;1.01,-1.02,)|
Show InChI InChI=1S/C19H23N5O/c1-11-10-15(25-4)8-9-16(11)17-12(2)23-24-18(17)20-13(3)21-19(24)22-14-6-5-7-14/h8-10,14H,5-7H2,1-4H3,(H,20,21,22)
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n/an/a 24.6n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29474
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-43)
Show SMILES CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)c(C)c1C |(.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.61,8.96,;-2.15,10.43,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;2.34,-1.79,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C20H27N5O/c1-8-24(9-2)20-22-15(6)21-19-18(14(5)23-25(19)20)16-10-11-17(26-7)13(4)12(16)3/h10-11H,8-9H2,1-7H3
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n/an/a 38.6n/an/an/an/an/a25



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM29441
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-10)
Show SMILES COc1ccc(-c2c(C)nn3c(nc(C)nc23)N2CCCC2)c(C)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;-1.66,-1.02,;-1.66,.52,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-1.57,7.83,;-.08,8.22,;-0,9.76,;-1.44,10.31,;-2.41,9.12,;1.01,.52,;2.34,1.29,;1.01,-1.02,)|
Show InChI InChI=1S/C19H23N5O/c1-12-11-15(25-4)7-8-16(12)17-13(2)22-24-18(17)20-14(3)21-19(24)23-9-5-6-10-23/h7-8,11H,5-6,9-10H2,1-4H3
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n/an/a 80.7n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%