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Patent code US8835444

Compile Data Set for Download or QSAR
Found 36 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


(Homo sapiens (Human))		BDBM9227
PNG
(US8835444, 2.1)
Show SMILES Cc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)c(C)c1Cl |r,wU:5.4,wD:8.11,(7.23,-2.19,;6.46,-.86,;4.99,-.38,;4.99,1.16,;3.66,1.93,;2.33,1.16,;2.33,-.38,;.99,-1.15,;-.34,-.38,;-.34,1.16,;.99,1.93,;-1.68,-1.15,;-3.01,-.38,;-3.01,1.16,;-4.34,-1.15,;-5.68,-.38,;-7.01,-1.15,;-8.34,-.38,;-7.01,-2.69,;-5.68,-3.46,;-4.34,-2.69,;-3.01,-3.46,;6.46,1.64,;6.86,3.12,;7.36,.39,;8.9,.39,)|
Show InChI InChI=1S/C19H24Cl2N4O/c1-11-17(8-15(20)9-22-11)19(26)23-16-6-4-14(5-7-16)10-25-13(3)18(21)12(2)24-25/h8-9,14,16H,4-7,10H2,1-3H3,(H,23,26)/t14-,16-
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n/an/a 256n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131875
PNG
(US8835444, 4.6)
Show SMILES CC(C)c1cc(C)nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Cl)cnc1C |r,wU:10.10,wD:13.17,(4.54,-2.18,;4.14,-.7,;2.66,-.3,;5.23,.39,;6.77,.39,;7.25,1.86,;8.58,2.63,;6,2.76,;4.76,1.86,;3.42,2.63,;2.09,1.86,;2.09,.32,;.75,-.45,;-.58,.32,;-.58,1.86,;.75,2.63,;-1.91,-.45,;-3.25,.32,;-3.25,1.86,;-4.58,-.45,;-5.91,.32,;-7.25,-.45,;-8.58,.32,;-7.25,-1.99,;-5.91,-2.76,;-4.58,-1.99,;-3.25,-2.76,)|
Show InChI InChI=1S/C21H29ClN4O/c1-13(2)20-9-14(3)25-26(20)12-16-5-7-18(8-6-16)24-21(27)19-10-17(22)11-23-15(19)4/h9-11,13,16,18H,5-8,12H2,1-4H3,(H,24,27)/t16-,18-
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n/an/a 40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131871
PNG
(US8835444, 4.1)
Show SMILES COc1ccc(cc1)-c1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1 |r,wU:14.14,wD:17.21,(11.26,-3.73,;9.78,-4.13,;8.69,-3.04,;7.2,-3.44,;6.11,-2.35,;6.51,-.87,;8,-.47,;9.09,-1.56,;5.42,.22,;5.9,1.69,;4.65,2.59,;4.65,4.13,;3.41,1.69,;2.07,2.46,;.74,1.69,;.74,.15,;-.6,-.62,;-1.93,.15,;-1.93,1.69,;-.6,2.46,;-3.26,-.62,;-4.6,.15,;-4.6,1.69,;-5.93,-.62,;-7.26,.15,;-8.6,-.62,;-8.6,-2.16,;-7.26,-2.93,;-5.93,-2.16,;-4.6,-2.93,;-9.93,.15,;-11.26,-.62,;-9.93,1.69,;-11.26,.92,;3.88,.22,)|
Show InChI InChI=1S/C26H27ClF3N3O2/c1-16-13-24(18-5-10-21(35-2)11-6-18)32-33(16)15-17-3-8-20(9-4-17)31-25(34)22-14-19(26(28,29)30)7-12-23(22)27/h5-7,10-14,17,20H,3-4,8-9,15H2,1-2H3,(H,31,34)/t17-,20-
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n/an/a 82n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131881
PNG
(US8835444, 5.26)
Show SMILES CCc1cc(C)nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F |r,wU:9.9,wD:12.16,(5.9,-2.27,;5.13,-.94,;5.9,.39,;7.44,.39,;7.91,1.86,;9.25,2.63,;6.67,2.76,;5.42,1.86,;4.09,2.63,;2.76,1.86,;2.76,.32,;1.42,-.45,;.09,.32,;.09,1.86,;1.42,2.63,;-1.25,-.45,;-2.58,.32,;-2.58,1.86,;-3.91,-.45,;-5.25,.32,;-6.58,-.45,;-6.58,-1.99,;-5.25,-2.76,;-3.91,-1.99,;-2.58,-2.76,;-7.91,.32,;-7.91,1.86,;-9.25,-.45,;-9.25,1.09,)|
Show InChI InChI=1S/C21H25ClF3N3O/c1-3-17-10-13(2)27-28(17)12-14-4-7-16(8-5-14)26-20(29)18-11-15(21(23,24)25)6-9-19(18)22/h6,9-11,14,16H,3-5,7-8,12H2,1-2H3,(H,26,29)/t14-,16-
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n/an/a 22n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 2


(Homo sapiens (Human))		BDBM131880
PNG
(US8835444, 5.21)
Show SMILES OCc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)cc1Cl |r,wU:6.5,wD:9.12,(7.44,-2.27,;8.21,-.94,;7.44,.39,;5.9,.39,;5.42,1.86,;4.09,2.63,;2.76,1.86,;2.76,.32,;1.42,-.45,;.09,.32,;.09,1.86,;1.42,2.63,;-1.25,-.45,;-2.58,.32,;-2.58,1.86,;-3.91,-.45,;-5.25,.32,;-6.58,-.45,;-6.58,-1.99,;-5.25,-2.76,;-3.91,-1.99,;-2.58,-2.76,;-7.91,.32,;-7.91,1.86,;-9.25,-.45,;-9.25,1.09,;6.67,2.76,;7.91,1.86,;9.25,2.63,)|
Show InChI InChI=1S/C19H20Cl2F3N3O2/c20-15-6-3-12(19(22,23)24)7-14(15)18(29)25-13-4-1-11(2-5-13)8-27-9-16(21)17(10-28)26-27/h3,6-7,9,11,13,28H,1-2,4-5,8,10H2,(H,25,29)/t11-,13-
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n/an/a 4.85E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131859
PNG
(US8835444, 1.4)
Show SMILES OC(=O)Cc1ccc(NC[C@H]2CC[C@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)cc1 |r,wU:13.16,10.9,(11.34,3.85,;10,3.08,;10,1.54,;8.67,3.85,;7.34,3.08,;7.34,1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-.67,1.54,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-6,-1.54,;-7.34,-.77,;-8.67,-1.54,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-10,-.77,;-11.34,-1.54,;-10,.77,;-11.34,,;4.67,3.08,;6,3.85,)|
Show InChI InChI=1S/C23H24ClF3N2O3/c24-20-10-5-16(23(25,26)27)12-19(20)22(32)29-18-8-3-15(4-9-18)13-28-17-6-1-14(2-7-17)11-21(30)31/h1-2,5-7,10,12,15,18,28H,3-4,8-9,11,13H2,(H,29,32)(H,30,31)/t15-,18+
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n/an/a 948n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131864
PNG
(US8835444, 2.13)
Show SMILES Cc1cn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)nc1C |r,wU:5.4,wD:8.11,(7.61,-1.42,;6.84,-.09,;5.38,.38,;5.38,1.93,;4.05,2.69,;2.71,1.93,;2.71,.38,;1.38,-.38,;.05,.38,;.05,1.93,;1.38,2.69,;-1.29,-.38,;-2.62,.38,;-2.62,1.93,;-3.96,-.38,;-5.29,.38,;-6.62,-.38,;-6.62,-1.93,;-5.29,-2.69,;-3.96,-1.93,;-2.62,-2.69,;-7.96,.38,;-9.29,-.38,;-7.96,1.93,;-9.29,1.15,;6.84,2.4,;7.75,1.15,;9.29,1.15,)|
Show InChI InChI=1S/C20H23ClF3N3O/c1-12-10-27(26-13(12)2)11-14-3-6-16(7-4-14)25-19(28)17-9-15(20(22,23)24)5-8-18(17)21/h5,8-10,14,16H,3-4,6-7,11H2,1-2H3,(H,25,28)/t14-,16-
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131878
PNG
(US8835444, 5.11)
Show SMILES COc1cc(C)nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F |r,wU:9.9,wD:12.16,(5.9,-2.27,;5.13,-.94,;5.9,.39,;7.44,.39,;7.91,1.86,;9.25,2.63,;6.67,2.76,;5.42,1.86,;4.09,2.63,;2.76,1.86,;2.76,.32,;1.42,-.45,;.09,.32,;.09,1.86,;1.42,2.63,;-1.25,-.45,;-2.58,.32,;-2.58,1.86,;-3.91,-.45,;-5.25,.32,;-6.58,-.45,;-6.58,-1.99,;-5.25,-2.76,;-3.91,-1.99,;-2.58,-2.76,;-7.91,.32,;-7.91,1.86,;-9.25,-.45,;-9.25,1.09,)|
Show InChI InChI=1S/C20H23ClF3N3O2/c1-12-9-18(29-2)27(26-12)11-13-3-6-15(7-4-13)25-19(28)16-10-14(20(22,23)24)5-8-17(16)21/h5,8-10,13,15H,3-4,6-7,11H2,1-2H3,(H,25,28)/t13-,15-
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n/an/a 67n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131879
PNG
(US8835444, 5.17)
Show SMILES Cc1cnn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c1 |r,wU:6.5,wD:9.12,(8.73,-.94,;7.96,.39,;8.43,1.86,;7.19,2.76,;5.94,1.86,;4.61,2.63,;3.27,1.86,;3.27,.32,;1.94,-.45,;.61,.32,;.61,1.86,;1.94,2.63,;-.73,-.45,;-2.06,.32,;-2.06,1.86,;-3.39,-.45,;-4.73,.32,;-6.06,-.45,;-6.06,-1.99,;-4.73,-2.76,;-3.39,-1.99,;-2.06,-2.76,;-7.39,.32,;-7.39,1.86,;-8.73,-.45,;-8.73,1.09,;6.42,.39,)|
Show InChI InChI=1S/C19H21ClF3N3O/c1-12-9-24-26(10-12)11-13-2-5-15(6-3-13)25-18(27)16-8-14(19(21,22)23)4-7-17(16)20/h4,7-10,13,15H,2-3,5-6,11H2,1H3,(H,25,27)/t13-,15-
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n/an/a 132n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131863
PNG
(US8835444, 2.4)
Show SMILES Cc1cc(nn1C[C@H]1CC[C@H](CC1)NC(=O)c1cc(Cl)cnc1C)-c1ccccc1 |r,wU:10.14,7.7,(1.84,-.38,;3.17,.38,;4.64,-.09,;5.54,1.15,;4.64,2.4,;3.17,1.93,;1.84,2.69,;.51,1.93,;.51,.38,;-.83,-.38,;-2.16,.38,;-2.16,1.93,;-.83,2.69,;-3.49,-.38,;-4.83,.38,;-4.83,1.93,;-6.16,-.38,;-7.5,.38,;-8.83,-.38,;-10.16,.38,;-8.83,-1.93,;-7.5,-2.69,;-6.16,-1.93,;-4.83,-2.69,;7.08,1.15,;7.85,-.18,;9.39,-.18,;10.16,1.15,;9.39,2.49,;7.85,2.49,)|
Show InChI InChI=1S/C24H27ClN4O/c1-16-12-23(19-6-4-3-5-7-19)28-29(16)15-18-8-10-21(11-9-18)27-24(30)22-13-20(25)14-26-17(22)2/h3-7,12-14,18,21H,8-11,15H2,1-2H3,(H,27,30)/t18-,21+
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131882
PNG
(US8835444, 5.27)
Show SMILES CCc1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1 |r,wU:8.7,wD:11.14,(9.91,1.86,;8.58,2.63,;7.25,1.86,;6.77,.39,;5.23,.39,;4.46,-.94,;4.76,1.86,;3.42,2.63,;2.09,1.86,;2.09,.32,;.75,-.45,;-.58,.32,;-.58,1.86,;.75,2.63,;-1.91,-.45,;-3.25,.32,;-3.25,1.86,;-4.58,-.45,;-5.91,.32,;-7.25,-.45,;-7.25,-1.99,;-5.91,-2.76,;-4.58,-1.99,;-3.25,-2.76,;-8.58,.32,;-8.58,1.86,;-9.91,-.45,;-9.91,1.09,;6,2.76,)|
Show InChI InChI=1S/C21H25ClF3N3O/c1-3-16-10-13(2)28(27-16)12-14-4-7-17(8-5-14)26-20(29)18-11-15(21(23,24)25)6-9-19(18)22/h6,9-11,14,17H,3-5,7-8,12H2,1-2H3,(H,26,29)/t14-,17-
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 2


(Homo sapiens (Human))		BDBM131858
PNG
(US8835444, 1.1)
Show SMILES CCc1[nH]nc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)c1C |r,wU:11.14,wD:8.7,(9.52,.08,;9.13,1.56,;7.64,1.96,;7.16,3.43,;5.62,3.43,;5.15,1.96,;3.81,1.19,;2.48,1.96,;1.15,1.19,;-.19,1.96,;-1.52,1.19,;-1.52,-.35,;-.19,-1.12,;1.15,-.35,;-2.86,-1.12,;-4.19,-.35,;-4.19,1.19,;-5.52,-1.12,;-6.86,-.35,;-8.19,-1.12,;-9.52,-.35,;-8.19,-2.66,;-6.86,-3.43,;-5.52,-2.66,;-4.19,-3.43,;6.39,1.06,;6.39,-.48,)|
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n/an/a 4.88E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131861
PNG
(US8835444, 2.0)
Show SMILES CCc1cc(CC)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)n1 |r,wU:9.8,wD:12.15,(6.46,-3.52,;7.23,-2.19,;6.46,-.86,;7.36,.39,;6.46,1.64,;6.86,3.12,;8.34,3.52,;4.99,1.16,;3.66,1.93,;2.33,1.16,;2.33,-.38,;.99,-1.15,;-.34,-.38,;-.34,1.16,;.99,1.93,;-1.68,-1.15,;-3.01,-.38,;-3.01,1.16,;-4.34,-1.15,;-5.68,-.38,;-7.01,-1.15,;-8.34,-.38,;-7.01,-2.69,;-5.68,-3.46,;-4.34,-2.69,;-3.01,-3.46,;4.99,-.38,)|
Show InChI InChI=1S/C21H29ClN4O/c1-4-17-11-19(5-2)26(25-17)13-15-6-8-18(9-7-15)24-21(27)20-10-16(22)12-23-14(20)3/h10-12,15,18H,4-9,13H2,1-3H3,(H,24,27)/t15-,18-
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n/an/a 160n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131865
PNG
(US8835444, 2.14)
Show SMILES Cc1cnn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c1C |r,wU:6.5,wD:9.12,(8.38,-1.42,;7.61,-.09,;8.52,1.15,;7.61,2.4,;6.15,1.93,;4.82,2.69,;3.48,1.93,;3.48,.38,;2.15,-.38,;.82,.38,;.82,1.93,;2.15,2.69,;-.52,-.38,;-1.85,.38,;-1.85,1.93,;-3.19,-.38,;-4.52,.38,;-5.85,-.38,;-5.85,-1.93,;-4.52,-2.69,;-3.19,-1.93,;-1.85,-2.69,;-7.19,.38,;-8.52,-.38,;-7.19,1.93,;-8.52,1.15,;6.15,.38,;4.82,-.38,)|
Show InChI InChI=1S/C20H23ClF3N3O/c1-12-10-25-27(13(12)2)11-14-3-6-16(7-4-14)26-19(28)17-9-15(20(22,23)24)5-8-18(17)21/h5,8-10,14,16H,3-4,6-7,11H2,1-2H3,(H,26,28)/t14-,16-
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n/an/a 214n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131862
PNG
(US8835444, 2.3)
Show SMILES Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2cc3CCCCc3n2)CC1 |r,wU:14.15,wD:11.11,(-3.71,-2.69,;-5.04,-1.93,;-6.37,-2.69,;-7.71,-1.93,;-7.71,-.38,;-9.04,.38,;-6.37,.38,;-5.04,-.38,;-3.71,.38,;-3.71,1.93,;-2.37,-.38,;-1.04,.38,;.29,-.38,;1.63,.38,;1.63,1.93,;2.96,2.69,;4.29,1.93,;4.46,.39,;5.96,.07,;6.73,-1.26,;8.27,-1.26,;9.04,.07,;8.27,1.41,;6.73,1.41,;5.7,2.55,;.29,2.69,;-1.04,1.93,)|
Show InChI InChI=1S/C21H27ClN4O/c1-14-19(10-17(22)11-23-14)21(27)24-18-8-6-15(7-9-18)12-26-13-16-4-2-3-5-20(16)25-26/h10-11,13,15,18H,2-9,12H2,1H3,(H,24,27)/t15-,18-
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n/an/a 318n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131874
PNG
(US8835444, 4.5)
Show SMILES Cc1cc(CO)nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Cl)cnc1C |r,wU:9.9,wD:12.16,(3,-.38,;4.34,.38,;5.8,-.09,;6.71,1.15,;8.25,1.15,;9.02,-.18,;5.8,2.4,;4.32,1.93,;2.99,2.69,;1.65,1.93,;1.65,.38,;.32,-.38,;-1.01,.38,;-1.01,1.93,;.32,2.69,;-2.35,-.38,;-3.68,.38,;-3.68,1.93,;-5.02,-.38,;-6.35,.38,;-7.68,-.38,;-9.02,.38,;-7.68,-1.93,;-6.35,-2.69,;-5.02,-1.93,;-3.68,-2.69,)|
Show InChI InChI=1S/C19H25ClN4O2/c1-12-7-17(11-25)23-24(12)10-14-3-5-16(6-4-14)22-19(26)18-8-15(20)9-21-13(18)2/h7-9,14,16,25H,3-6,10-11H2,1-2H3,(H,22,26)/t14-,16-
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n/an/a 665n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131877
PNG
(US8835444, 5.8)
Show SMILES COc1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1 |r,wU:8.7,wD:11.14,(9.52,3.25,;9.13,1.77,;7.64,1.37,;7.16,-.1,;5.62,-.1,;4.85,-1.43,;5.15,1.37,;3.81,2.14,;2.48,1.37,;2.48,-.17,;1.15,-.94,;-.19,-.17,;-.19,1.37,;1.15,2.14,;-1.52,-.94,;-2.86,-.17,;-2.86,1.37,;-4.19,-.94,;-5.52,-.17,;-6.86,-.94,;-6.86,-2.48,;-5.52,-3.25,;-4.19,-2.48,;-2.86,-3.25,;-8.19,-.17,;-8.19,1.37,;-9.52,-.94,;-9.52,.6,;6.39,2.27,)|
Show InChI InChI=1S/C20H23ClF3N3O2/c1-12-9-18(29-2)26-27(12)11-13-3-6-15(7-4-13)25-19(28)16-10-14(20(22,23)24)5-8-17(16)21/h5,8-10,13,15H,3-4,6-7,11H2,1-2H3,(H,25,28)/t13-,15-
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n/an/a 126n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 2


(Homo sapiens (Human))		BDBM131860
PNG
(US8835444, 1.8)
Show SMILES COc1ccc(-c2c(C)[nH]nc2NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c(Cl)c1 |r,wU:14.14,wD:17.21,(5.96,-4.65,;7.29,-3.88,;7.29,-2.34,;5.96,-1.57,;5.96,-.03,;7.29,.74,;7.29,2.28,;8.54,3.19,;9.87,2.42,;8.06,4.65,;6.52,4.65,;6.05,3.19,;4.71,2.42,;3.38,3.19,;2.04,2.42,;2.04,.88,;.71,.11,;-.62,.88,;-.62,2.42,;.71,3.19,;-1.96,.11,;-3.29,.88,;-3.29,2.42,;-4.62,.11,;-5.96,.88,;-7.29,.11,;-7.29,-1.43,;-5.96,-2.2,;-4.62,-1.43,;-3.29,-2.2,;-8.62,.88,;-9.96,.11,;-8.62,2.42,;-7.29,1.65,;8.62,-.03,;9.96,.74,;8.62,-1.57,)|
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n/an/a 727n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 2


(Homo sapiens (Human))		BDBM131863
PNG
(US8835444, 2.4)
Show SMILES Cc1cc(nn1C[C@H]1CC[C@H](CC1)NC(=O)c1cc(Cl)cnc1C)-c1ccccc1 |r,wU:10.14,7.7,(1.84,-.38,;3.17,.38,;4.64,-.09,;5.54,1.15,;4.64,2.4,;3.17,1.93,;1.84,2.69,;.51,1.93,;.51,.38,;-.83,-.38,;-2.16,.38,;-2.16,1.93,;-.83,2.69,;-3.49,-.38,;-4.83,.38,;-4.83,1.93,;-6.16,-.38,;-7.5,.38,;-8.83,-.38,;-10.16,.38,;-8.83,-1.93,;-7.5,-2.69,;-6.16,-1.93,;-4.83,-2.69,;7.08,1.15,;7.85,-.18,;9.39,-.18,;10.16,1.15,;9.39,2.49,;7.85,2.49,)|
Show InChI InChI=1S/C24H27ClN4O/c1-16-12-23(19-6-4-3-5-7-19)28-29(16)15-18-8-10-21(11-9-18)27-24(30)22-13-20(25)14-26-17(22)2/h3-7,12-14,18,21H,8-11,15H2,1-2H3,(H,27,30)/t18-,21+
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n/an/a 4.94E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 2


(Homo sapiens (Human))		BDBM131882
PNG
(US8835444, 5.27)
Show SMILES CCc1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1 |r,wU:8.7,wD:11.14,(9.91,1.86,;8.58,2.63,;7.25,1.86,;6.77,.39,;5.23,.39,;4.46,-.94,;4.76,1.86,;3.42,2.63,;2.09,1.86,;2.09,.32,;.75,-.45,;-.58,.32,;-.58,1.86,;.75,2.63,;-1.91,-.45,;-3.25,.32,;-3.25,1.86,;-4.58,-.45,;-5.91,.32,;-7.25,-.45,;-7.25,-1.99,;-5.91,-2.76,;-4.58,-1.99,;-3.25,-2.76,;-8.58,.32,;-8.58,1.86,;-9.91,-.45,;-9.91,1.09,;6,2.76,)|
Show InChI InChI=1S/C21H25ClF3N3O/c1-3-16-10-13(2)28(27-16)12-14-4-7-17(8-5-14)26-20(29)18-11-15(21(23,24)25)6-9-19(18)22/h6,9-11,14,17H,3-5,7-8,12H2,1-2H3,(H,26,29)/t14-,17-
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n/an/a 2.03E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131860
PNG
(US8835444, 1.8)
Show SMILES COc1ccc(-c2c(C)[nH]nc2NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c(Cl)c1 |r,wU:14.14,wD:17.21,(5.96,-4.65,;7.29,-3.88,;7.29,-2.34,;5.96,-1.57,;5.96,-.03,;7.29,.74,;7.29,2.28,;8.54,3.19,;9.87,2.42,;8.06,4.65,;6.52,4.65,;6.05,3.19,;4.71,2.42,;3.38,3.19,;2.04,2.42,;2.04,.88,;.71,.11,;-.62,.88,;-.62,2.42,;.71,3.19,;-1.96,.11,;-3.29,.88,;-3.29,2.42,;-4.62,.11,;-5.96,.88,;-7.29,.11,;-7.29,-1.43,;-5.96,-2.2,;-4.62,-1.43,;-3.29,-2.2,;-8.62,.88,;-9.96,.11,;-8.62,2.42,;-7.29,1.65,;8.62,-.03,;9.96,.74,;8.62,-1.57,)|
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n/an/a 35n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131868
PNG
(US8835444, 3.3)
Show SMILES Cc1cc(nn1C[C@H]1CC[C@H](CC1)NC(=O)c1cc(Cl)cnc1C)-c1ccc(F)cc1 |r,wU:10.14,7.7,(1.07,-.38,;2.4,.38,;3.87,-.09,;4.77,1.15,;3.87,2.4,;2.4,1.93,;1.07,2.69,;-.26,1.93,;-.26,.38,;-1.6,-.38,;-2.93,.38,;-2.93,1.93,;-1.6,2.69,;-4.26,-.38,;-5.6,.38,;-5.6,1.93,;-6.93,-.38,;-8.27,.38,;-9.6,-.38,;-10.93,.38,;-9.6,-1.93,;-8.27,-2.69,;-6.93,-1.93,;-5.6,-2.69,;6.31,1.15,;7.08,-.18,;8.62,-.18,;9.39,1.15,;10.93,1.15,;8.62,2.49,;7.08,2.49,)|
Show InChI InChI=1S/C24H26ClFN4O/c1-15-11-23(18-5-7-20(26)8-6-18)29-30(15)14-17-3-9-21(10-4-17)28-24(31)22-12-19(25)13-27-16(22)2/h5-8,11-13,17,21H,3-4,9-10,14H2,1-2H3,(H,28,31)/t17-,21+
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n/an/a 180n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131876
PNG
(US8835444, 5.1)
Show SMILES CCc1cc(CC)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1 |r,wU:12.15,wD:9.8,(9.87,1.17,;8.78,2.26,;7.29,1.86,;6.82,.39,;5.28,.39,;4.51,-.94,;5.28,-2.27,;4.8,1.86,;3.47,2.63,;2.13,1.86,;.8,2.63,;-.53,1.86,;-.53,.32,;.8,-.45,;2.13,.32,;-1.87,-.45,;-3.2,.32,;-3.2,1.86,;-4.53,-.45,;-5.87,.32,;-7.2,-.45,;-7.2,-1.99,;-5.87,-2.76,;-4.53,-1.99,;-3.2,-2.76,;-8.54,.32,;-9.87,-.45,;-8.54,1.86,;-9.87,1.09,;6.05,2.76,)|
Show InChI InChI=1S/C22H27ClF3N3O/c1-3-16-12-18(4-2)29(28-16)13-14-5-8-17(9-6-14)27-21(30)19-11-15(22(24,25)26)7-10-20(19)23/h7,10-12,14,17H,3-6,8-9,13H2,1-2H3,(H,27,30)/t14-,17-
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n/an/a 21n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131883
PNG
(US8835444, 5.29)
Show SMILES CCc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c(C)c1Cl |r,wU:6.5,wD:9.12,(9.91,1.86,;8.58,2.63,;7.25,1.86,;6,2.76,;4.76,1.86,;3.42,2.63,;2.09,1.86,;2.09,.32,;.75,-.45,;-.58,.32,;-.58,1.86,;.75,2.63,;-1.91,-.45,;-3.25,.32,;-3.25,1.86,;-4.58,-.45,;-5.91,.32,;-7.25,-.45,;-7.25,-1.99,;-5.91,-2.76,;-4.58,-1.99,;-3.25,-2.76,;-8.58,.32,;-8.58,1.86,;-9.91,-.45,;-9.91,1.09,;5.23,.39,;4.46,-.94,;6.77,.39,;7.54,-.94,)|
Show InChI InChI=1S/C21H24Cl2F3N3O/c1-3-18-19(23)12(2)29(28-18)11-13-4-7-15(8-5-13)27-20(30)16-10-14(21(24,25)26)6-9-17(16)22/h6,9-10,13,15H,3-5,7-8,11H2,1-2H3,(H,27,30)/t13-,15-
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n/an/a 49n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131858
PNG
(US8835444, 1.1)
Show SMILES CCc1[nH]nc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)c1C |r,wU:11.14,wD:8.7,(9.52,.08,;9.13,1.56,;7.64,1.96,;7.16,3.43,;5.62,3.43,;5.15,1.96,;3.81,1.19,;2.48,1.96,;1.15,1.19,;-.19,1.96,;-1.52,1.19,;-1.52,-.35,;-.19,-1.12,;1.15,-.35,;-2.86,-1.12,;-4.19,-.35,;-4.19,1.19,;-5.52,-1.12,;-6.86,-.35,;-8.19,-1.12,;-9.52,-.35,;-8.19,-2.66,;-6.86,-3.43,;-5.52,-2.66,;-4.19,-3.43,;6.39,1.06,;6.39,-.48,)|
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n/an/a 134n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131870
PNG
(US8835444, 3.17)
Show SMILES Cc1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(cnc2C)C(F)(F)F)n1 |r,wU:7.6,wD:10.13,(9.29,1.15,;7.75,1.15,;6.84,-.09,;5.38,.38,;4.05,-.38,;5.38,1.93,;4.05,2.69,;2.71,1.93,;2.71,.38,;1.38,-.38,;.05,.38,;.05,1.93,;1.38,2.69,;-1.29,-.38,;-2.62,.38,;-2.62,1.93,;-3.96,-.38,;-5.29,.38,;-6.62,-.38,;-6.62,-1.93,;-5.29,-2.69,;-3.96,-1.93,;-2.62,-2.69,;-7.96,.38,;-9.29,-.38,;-7.96,1.93,;-9.29,1.15,;6.84,2.4,)|
Show InChI InChI=1S/C20H25F3N4O/c1-12-8-13(2)27(26-12)11-15-4-6-17(7-5-15)25-19(28)18-9-16(20(21,22)23)10-24-14(18)3/h8-10,15,17H,4-7,11H2,1-3H3,(H,25,28)/t15-,17-
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n/an/a 634n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131873
PNG
(US8835444, 4.4)
Show SMILES Cc1cc(CO)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)n1 |r,wU:8.7,wD:11.14,(8.63,1.15,;7.09,1.15,;6.19,-.09,;4.72,.38,;3.63,-.7,;4.03,-2.19,;4.71,1.93,;3.37,2.69,;2.04,1.93,;2.04,.38,;.7,-.38,;-.63,.38,;-.63,1.93,;.7,2.69,;-1.96,-.38,;-3.3,.38,;-3.3,1.93,;-4.63,-.38,;-5.96,.38,;-7.3,-.38,;-8.63,.38,;-7.3,-1.93,;-5.96,-2.69,;-4.63,-1.93,;-3.3,-2.69,;6.19,2.4,)|
Show InChI InChI=1S/C19H25ClN4O2/c1-12-7-17(11-25)24(23-12)10-14-3-5-16(6-4-14)22-19(26)18-8-15(20)9-21-13(18)2/h7-9,14,16,25H,3-6,10-11H2,1-2H3,(H,22,26)/t14-,16-
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n/an/a 6.96E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131880
PNG
(US8835444, 5.21)
Show SMILES OCc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)cc1Cl |r,wU:6.5,wD:9.12,(7.44,-2.27,;8.21,-.94,;7.44,.39,;5.9,.39,;5.42,1.86,;4.09,2.63,;2.76,1.86,;2.76,.32,;1.42,-.45,;.09,.32,;.09,1.86,;1.42,2.63,;-1.25,-.45,;-2.58,.32,;-2.58,1.86,;-3.91,-.45,;-5.25,.32,;-6.58,-.45,;-6.58,-1.99,;-5.25,-2.76,;-3.91,-1.99,;-2.58,-2.76,;-7.91,.32,;-7.91,1.86,;-9.25,-.45,;-9.25,1.09,;6.67,2.76,;7.91,1.86,;9.25,2.63,)|
Show InChI InChI=1S/C19H20Cl2F3N3O2/c20-15-6-3-12(19(22,23)24)7-14(15)18(29)25-13-4-1-11(2-5-13)8-27-9-16(21)17(10-28)26-27/h3,6-7,9,11,13,28H,1-2,4-5,8,10H2,(H,25,29)/t11-,13-
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n/an/a 95n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131869
PNG
(US8835444, 3.6)
Show SMILES Cc1cc(nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Cl)cnc1C)-c1cccnc1 |r,wU:7.7,wD:10.14,(2,-.38,;3.33,.38,;4.67,-.39,;6,.38,;6,1.93,;3.33,1.93,;2,2.69,;.67,1.93,;.67,.38,;-.67,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,-.38,;-4.67,.38,;-4.67,1.93,;-6,-.38,;-7.34,.38,;-8.67,-.38,;-10,.38,;-8.67,-1.93,;-7.34,-2.69,;-6,-1.93,;-4.67,-2.69,;7.34,-.38,;7.34,-1.93,;8.67,-2.69,;10,-1.93,;10,-.38,;8.67,.38,)|
Show InChI InChI=1S/C23H26ClN5O/c1-15-10-22(18-4-3-9-25-12-18)28-29(15)14-17-5-7-20(8-6-17)27-23(30)21-11-19(24)13-26-16(21)2/h3-4,9-13,17,20H,5-8,14H2,1-2H3,(H,27,30)/t17-,20-
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 2


(Homo sapiens (Human))		BDBM131868
PNG
(US8835444, 3.3)
Show SMILES Cc1cc(nn1C[C@H]1CC[C@H](CC1)NC(=O)c1cc(Cl)cnc1C)-c1ccc(F)cc1 |r,wU:10.14,7.7,(1.07,-.38,;2.4,.38,;3.87,-.09,;4.77,1.15,;3.87,2.4,;2.4,1.93,;1.07,2.69,;-.26,1.93,;-.26,.38,;-1.6,-.38,;-2.93,.38,;-2.93,1.93,;-1.6,2.69,;-4.26,-.38,;-5.6,.38,;-5.6,1.93,;-6.93,-.38,;-8.27,.38,;-9.6,-.38,;-10.93,.38,;-9.6,-1.93,;-8.27,-2.69,;-6.93,-1.93,;-5.6,-2.69,;6.31,1.15,;7.08,-.18,;8.62,-.18,;9.39,1.15,;10.93,1.15,;8.62,2.49,;7.08,2.49,)|
Show InChI InChI=1S/C24H26ClFN4O/c1-15-11-23(18-5-7-20(26)8-6-18)29-30(15)14-17-3-9-21(10-4-17)28-24(31)22-12-19(25)13-27-16(22)2/h5-8,11-13,17,21H,3-4,9-10,14H2,1-2H3,(H,28,31)/t17-,21+
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n/an/a 4.63E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM9237
PNG
(US8835444, 4.3 | US8835444, 4.8)
Show SMILES Cc1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)n1 |r,wU:7.6,wD:10.13,(7.23,-2.19,;6.46,-.86,;7.36,.39,;6.46,1.64,;6.86,3.12,;4.99,1.16,;3.66,1.93,;2.33,1.16,;2.33,-.38,;.99,-1.15,;-.34,-.38,;-.34,1.16,;.99,1.93,;-1.68,-1.15,;-3.01,-.38,;-3.01,1.16,;-4.34,-1.15,;-5.68,-.38,;-7.01,-1.15,;-8.34,-.38,;-7.01,-2.69,;-5.68,-3.46,;-4.34,-2.69,;-3.01,-3.46,;4.99,-.38,)|
Show InChI InChI=1S/C19H25ClN4O/c1-12-8-13(2)24(23-12)11-15-4-6-17(7-5-15)22-19(25)18-9-16(20)10-21-14(18)3/h8-10,15,17H,4-7,11H2,1-3H3,(H,22,25)/t15-,17-
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n/an/a 262n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 2


(Homo sapiens (Human))		BDBM131869
PNG
(US8835444, 3.6)
Show SMILES Cc1cc(nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Cl)cnc1C)-c1cccnc1 |r,wU:7.7,wD:10.14,(2,-.38,;3.33,.38,;4.67,-.39,;6,.38,;6,1.93,;3.33,1.93,;2,2.69,;.67,1.93,;.67,.38,;-.67,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,-.38,;-4.67,.38,;-4.67,1.93,;-6,-.38,;-7.34,.38,;-8.67,-.38,;-10,.38,;-8.67,-1.93,;-7.34,-2.69,;-6,-1.93,;-4.67,-2.69,;7.34,-.38,;7.34,-1.93,;8.67,-2.69,;10,-1.93,;10,-.38,;8.67,.38,)|
Show InChI InChI=1S/C23H26ClN5O/c1-15-10-22(18-4-3-9-25-12-18)28-29(15)14-17-5-7-20(8-6-17)27-23(30)21-11-19(24)13-26-16(21)2/h3-4,9-13,17,20H,5-8,14H2,1-2H3,(H,27,30)/t17-,20-
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n/an/a 3.74E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM9237
PNG
(US8835444, 4.3 | US8835444, 4.8)
Show SMILES Cc1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)n1 |r,wU:7.6,wD:10.13,(7.23,-2.19,;6.46,-.86,;7.36,.39,;6.46,1.64,;6.86,3.12,;4.99,1.16,;3.66,1.93,;2.33,1.16,;2.33,-.38,;.99,-1.15,;-.34,-.38,;-.34,1.16,;.99,1.93,;-1.68,-1.15,;-3.01,-.38,;-3.01,1.16,;-4.34,-1.15,;-5.68,-.38,;-7.01,-1.15,;-8.34,-.38,;-7.01,-2.69,;-5.68,-3.46,;-4.34,-2.69,;-3.01,-3.46,;4.99,-.38,)|
Show InChI InChI=1S/C19H25ClN4O/c1-12-8-13(2)24(23-12)11-15-4-6-17(7-5-15)22-19(25)18-9-16(20)10-21-14(18)3/h8-10,15,17H,4-7,11H2,1-3H3,(H,22,25)/t15-,17-
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131867
PNG
(US8835444, 2.16)
Show SMILES FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](Cn2cc3CCCc3n2)CC1 |r,wU:17.18,wD:14.14,(-8.97,-.39,;-7.63,.38,;-7.63,1.92,;-8.97,1.15,;-6.3,-.39,;-6.3,-1.93,;-4.97,-2.7,;-3.63,-1.93,;-2.3,-2.7,;-3.63,-.39,;-4.97,.38,;-2.3,.38,;-2.3,1.92,;-.96,-.39,;.37,.38,;1.7,-.39,;3.04,.38,;3.04,1.92,;4.37,2.7,;5.7,1.92,;7.24,1.92,;7.72,.46,;8.97,-.44,;8.49,-1.91,;6.95,-1.91,;6.47,-.44,;5.23,.46,;1.7,2.7,;.37,1.92,)|
Show InChI InChI=1S/C21H23ClF3N3O/c22-18-9-6-15(21(23,24)25)10-17(18)20(29)26-16-7-4-13(5-8-16)11-28-12-14-2-1-3-19(14)27-28/h6,9-10,12-13,16H,1-5,7-8,11H2,(H,26,29)/t13-,16-
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n/an/a 147n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131872
PNG
(US8835444, 4.2)
Show SMILES Cc1cc(nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F)-c1ccc2OCOc2c1 |r,wU:7.7,wD:10.14,(4.91,4.22,;4.91,2.68,;6.16,1.77,;5.68,.31,;4.14,.31,;3.67,1.77,;2.33,2.54,;1,1.77,;1,.23,;-.34,-.54,;-1.67,.23,;-1.67,1.77,;-.34,2.54,;-3,-.54,;-4.34,.23,;-4.34,1.77,;-5.67,-.54,;-7,.23,;-8.34,-.54,;-8.34,-2.08,;-7,-2.85,;-5.67,-2.08,;-4.34,-2.85,;-9.67,.23,;-11,-.54,;-9.67,1.77,;-11,1,;6.45,-1.02,;5.98,-2.49,;7.01,-3.63,;8.51,-3.31,;9.76,-4.22,;11,-3.31,;10.53,-1.85,;8.99,-1.85,;7.96,-.7,)|
Show InChI InChI=1S/C26H25ClF3N3O3/c1-15-10-22(17-4-9-23-24(11-17)36-14-35-23)32-33(15)13-16-2-6-19(7-3-16)31-25(34)20-12-18(26(28,29)30)5-8-21(20)27/h4-5,8-12,16,19H,2-3,6-7,13-14H2,1H3,(H,31,34)/t16-,19-
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM131866
PNG
(US8835444, 2.15)
Show SMILES FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](Cn2ncc3CCCc23)CC1 |r,wU:17.18,wD:14.14,(-8.58,-.45,;-7.25,.32,;-7.25,1.86,;-8.58,1.09,;-5.91,-.45,;-5.91,-1.99,;-4.58,-2.76,;-3.25,-1.99,;-1.91,-2.76,;-3.25,-.45,;-4.58,.32,;-1.91,.32,;-1.91,1.86,;-.58,-.45,;.75,.32,;2.09,-.45,;3.42,.32,;3.42,1.86,;4.76,2.63,;6.09,1.86,;7.34,2.76,;8.58,1.86,;8.11,.39,;8.58,-1.07,;7.34,-1.98,;6.09,-1.07,;6.57,.39,;2.09,2.63,;.75,1.86,)|
Show InChI InChI=1S/C21H23ClF3N3O/c22-18-9-6-15(21(23,24)25)10-17(18)20(29)27-16-7-4-13(5-8-16)12-28-19-3-1-2-14(19)11-26-28/h6,9-11,13,16H,1-5,7-8,12H2,(H,27,29)/t13-,16-
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n/an/a 170n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...

US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%