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Compile Data Set for Download or QSAR

Found 624 hits with Last Name = 'harriman' and Initial = 'gc'   
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
Adenosine deaminase


(Bos taurus (bovine))
BDBM22925
PNG
((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12
Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
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0.00250n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal adenosine deaminase.


J Med Chem 35: 4180-4 (1992)

Checked by Author
Article DOI: 10.1021/jm00100a025
BindingDB Entry DOI: 10.7270/Q2SQ9118
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50367032
PNG
(COFORMYCIN)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12
Show InChI InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1
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0.0100n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal adenosine deaminase.


J Med Chem 35: 4180-4 (1992)

Checked by Author
Article DOI: 10.1021/jm00100a025
BindingDB Entry DOI: 10.7270/Q2SQ9118
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203905
PNG
(4-(4-benzoylamino-naphthalene-1-sulfonylamino)-pip...)
Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H27N3O5S/c1-2-33-25(30)28-16-14-19(15-17-28)27-34(31,32)23-13-12-22(20-10-6-7-11-21(20)23)26-24(29)18-8-4-3-5-9-18/h3-13,19,27H,2,14-17H2,1H3,(H,26,29)
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0.170n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203831
PNG
(CHEMBL374939 | N-(4-{[(1-butyrylpiperidin-4-yl)ami...)
Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C27H31N3O4S/c1-3-8-26(31)30-17-15-20(16-18-30)29-35(33,34)25-14-13-24(22-11-6-7-12-23(22)25)28-27(32)21-10-5-4-9-19(21)2/h4-7,9-14,20,29H,3,8,15-18H2,1-2H3,(H,28,32)
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0.300n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203832
PNG
(4-[4-(2-methyl-benzoylamino)-naphthalene-1-sulfony...)
Show SMILES CNC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C25H28N4O4S/c1-17-7-3-4-8-19(17)24(30)27-22-11-12-23(21-10-6-5-9-20(21)22)34(32,33)28-18-13-15-29(16-14-18)25(31)26-2/h3-12,18,28H,13-16H2,1-2H3,(H,26,31)(H,27,30)
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0.700n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203834
PNG
(2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]p...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C28H32N4O4S/c1-19-7-2-3-8-21(19)27(33)30-24-12-13-26(23-10-5-4-9-22(23)24)37(35,36)31-20-14-17-32(18-15-20)28(34)25-11-6-16-29-25/h2-5,7-10,12-13,20,25,29,31H,6,11,14-18H2,1H3,(H,30,33)/t25-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203834
PNG
(2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]p...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C28H32N4O4S/c1-19-7-2-3-8-21(19)27(33)30-24-12-13-26(23-10-5-4-9-22(23)24)37(35,36)31-20-14-17-32(18-15-20)28(34)25-11-6-16-29-25/h2-5,7-10,12-13,20,25,29,31H,6,11,14-18H2,1H3,(H,30,33)/t25-/m0/s1
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1n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203919
PNG
(2-methyl-N-[4-({[1-(pyrrolidin-1-ylcarbonyl)piperi...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C28H32N4O4S/c1-20-8-2-3-9-22(20)27(33)29-25-12-13-26(24-11-5-4-10-23(24)25)37(35,36)30-21-14-18-32(19-15-21)28(34)31-16-6-7-17-31/h2-5,8-13,21,30H,6-7,14-19H2,1H3,(H,29,33)
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1.10n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203914
PNG
(CHEMBL375854 | N-[4-({[1-(azetidin-3-ylcarbonyl)pi...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)C1CNC1
Show InChI InChI=1S/C27H30N4O4S/c1-18-6-2-3-7-21(18)26(32)29-24-10-11-25(23-9-5-4-8-22(23)24)36(34,35)30-20-12-14-31(15-13-20)27(33)19-16-28-17-19/h2-11,19-20,28,30H,12-17H2,1H3,(H,29,32)
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1.5n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203920
PNG
(CHEMBL221867 | N-{4-[1-(4-amino-butyryl)-piperidin...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)CCCN
Show InChI InChI=1S/C27H32N4O4S/c1-19-7-2-3-8-21(19)27(33)29-24-12-13-25(23-10-5-4-9-22(23)24)36(34,35)30-20-14-17-31(18-15-20)26(32)11-6-16-28/h2-5,7-10,12-13,20,30H,6,11,14-18,28H2,1H3,(H,29,33)
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1.60n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203881
PNG
(4-[4-(2-methyl-benzoylamino)-naphthalene-1-sulfony...)
Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C26H29N3O5S/c1-3-34-26(31)29-16-14-19(15-17-29)28-35(32,33)24-13-12-23(21-10-6-7-11-22(21)24)27-25(30)20-9-5-4-8-18(20)2/h4-13,19,28H,3,14-17H2,1-2H3,(H,27,30)
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1.60n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203871
PNG
(4-({[4-(benzoylamino)-1-naphthyl]sulfonyl}amino)-N...)
Show SMILES CN(C)C(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C26H30N4O4S/c1-18-8-4-5-9-20(18)25(31)27-23-12-13-24(22-11-7-6-10-21(22)23)35(33,34)28-19-14-16-30(17-15-19)26(32)29(2)3/h4-13,19,28H,14-17H2,1-3H3,(H,27,31)
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1.60n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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2n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal Adenosine deaminase


J Med Chem 35: 4180-4 (1992)

Checked by Author
Article DOI: 10.1021/jm00100a025
BindingDB Entry DOI: 10.7270/Q2SQ9118
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203859
PNG
(4-[4-(2-methyl-benzoylamino)-naphthalene-1-sulfony...)
Show SMILES CCNC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C26H30N4O4S/c1-3-27-26(32)30-16-14-19(15-17-30)29-35(33,34)24-13-12-23(21-10-6-7-11-22(21)24)28-25(31)20-9-5-4-8-18(20)2/h4-13,19,29H,3,14-17H2,1-2H3,(H,27,32)(H,28,31)
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2.20n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203857
PNG
(CHEMBL218037 | ethyl 4-({[5-(benzoylamino)-1-napht...)
Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1cccc2c(NC(=O)c3ccccc3)cccc12
Show InChI InChI=1S/C25H27N3O5S/c1-2-33-25(30)28-16-14-19(15-17-28)27-34(31,32)23-13-7-10-20-21(23)11-6-12-22(20)26-24(29)18-8-4-3-5-9-18/h3-13,19,27H,2,14-17H2,1H3,(H,26,29)
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2.30n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203900
PNG
(2-methyl-N-[4-(1-propionyl-piperidin-4-ylsulfamoyl...)
Show SMILES CCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C26H29N3O4S/c1-3-25(30)29-16-14-19(15-17-29)28-34(32,33)24-13-12-23(21-10-6-7-11-22(21)24)27-26(31)20-9-5-4-8-18(20)2/h4-13,19,28H,3,14-17H2,1-2H3,(H,27,31)
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2.5n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203853
PNG
(CHEMBL221130 | N-{4-[1-(azetidine-1-carbonyl)-pipe...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)N1CCC1
Show InChI InChI=1S/C27H30N4O4S/c1-19-7-2-3-8-21(19)26(32)28-24-11-12-25(23-10-5-4-9-22(23)24)36(34,35)29-20-13-17-31(18-14-20)27(33)30-15-6-16-30/h2-5,7-12,20,29H,6,13-18H2,1H3,(H,28,32)
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3.5n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50034908
PNG
((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol | (2...)
Show SMILES CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m1/s1
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4n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal adenosine deaminase.


J Med Chem 35: 4180-4 (1992)

Checked by Author
Article DOI: 10.1021/jm00100a025
BindingDB Entry DOI: 10.7270/Q2SQ9118
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203849
PNG
(CHEMBL221904 | N-{4-[1-(2-amino-acetyl)-piperidin-...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)CN
Show InChI InChI=1S/C25H28N4O4S/c1-17-6-2-3-7-19(17)25(31)27-22-10-11-23(21-9-5-4-8-20(21)22)34(32,33)28-18-12-14-29(15-13-18)24(30)16-26/h2-11,18,28H,12-16,26H2,1H3,(H,27,31)
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4.10n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203882
PNG
(2-methyl-N-{4-[1-(4-methyl-piperazine-1-carbonyl)-...)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C29H35N5O4S/c1-21-7-3-4-8-23(21)28(35)30-26-11-12-27(25-10-6-5-9-24(25)26)39(37,38)31-22-13-15-33(16-14-22)29(36)34-19-17-32(2)18-20-34/h3-12,22,31H,13-20H2,1-2H3,(H,30,35)
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4.20n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203850
PNG
(2-methyl-N-{4-[1-(piperidine-1-carbonyl)-piperidin...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C29H34N4O4S/c1-21-9-3-4-10-23(21)28(34)30-26-13-14-27(25-12-6-5-11-24(25)26)38(36,37)31-22-15-19-33(20-16-22)29(35)32-17-7-2-8-18-32/h3-6,9-14,22,31H,2,7-8,15-20H2,1H3,(H,30,34)
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4.20n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203837
PNG
(CHEMBL218503 | N-(4-cyclohexylsulfamoyl-naphthalen...)
Show SMILES O=C(Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H24N2O3S/c26-23(17-9-3-1-4-10-17)24-21-15-16-22(20-14-8-7-13-19(20)21)29(27,28)25-18-11-5-2-6-12-18/h1,3-4,7-10,13-16,18,25H,2,5-6,11-12H2,(H,24,26)
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4.40n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50044020
PNG
((2R,3R)-3-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-1-f...)
Show SMILES CCCCCC[C@H]([C@@H](O)CF)n1cnc2c(N)nccc12
Show InChI InChI=1S/C15H23FN4O/c1-2-3-4-5-6-11(13(21)9-16)20-10-19-14-12(20)7-8-18-15(14)17/h7-8,10-11,13,21H,2-6,9H2,1H3,(H2,17,18)/t11-,13+/m1/s1
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4.70n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of adenosine deaminase from calf intestinal mucosa


J Med Chem 37: 305-8 (1994)


Article DOI: 10.1021/jm00028a014
BindingDB Entry DOI: 10.7270/Q2D50M1Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203866
PNG
(4-(4-o-tolylcarbamoyl-naphthalene-1-sulfonylamino)...)
Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C26H29N3O5S/c1-3-34-26(31)29-16-14-19(15-17-29)28-35(32,33)24-13-12-22(20-9-5-6-10-21(20)24)25(30)27-23-11-7-4-8-18(23)2/h4-13,19,28H,3,14-17H2,1-2H3,(H,27,30)
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5.21n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203878
PNG
(CHEMBL218036 | N-{4-[1-(2-hydroxy-acetyl)-piperidi...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C25H27N3O5S/c1-17-6-2-3-7-19(17)25(31)26-22-10-11-23(21-9-5-4-8-20(21)22)34(32,33)27-18-12-14-28(15-13-18)24(30)16-29/h2-11,18,27,29H,12-16H2,1H3,(H,26,31)
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5.40n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50044019
PNG
((2S,3R)-3-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-non...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)nccc12
Show InChI InChI=1S/C15H24N4O/c1-3-4-5-6-7-12(11(2)20)19-10-18-14-13(19)8-9-17-15(14)16/h8-12,20H,3-7H2,1-2H3,(H2,16,17)/t11-,12+/m0/s1
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6.20n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of adenosine deaminase from calf intestinal mucosa


J Med Chem 37: 305-8 (1994)


Article DOI: 10.1021/jm00028a014
BindingDB Entry DOI: 10.7270/Q2D50M1Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203875
PNG
(2-methyl-N-[4-({[1-(morpholin-4-ylcarbonyl)piperid...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H32N4O5S/c1-20-6-2-3-7-22(20)27(33)29-25-10-11-26(24-9-5-4-8-23(24)25)38(35,36)30-21-12-14-31(15-13-21)28(34)32-16-18-37-19-17-32/h2-11,21,30H,12-19H2,1H3,(H,29,33)
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6.30n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203910
PNG
(CHEMBL221977 | N-(4-{[(1-acetylpiperidin-4-yl)amin...)
Show SMILES CC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C25H27N3O4S/c1-17-7-3-4-8-20(17)25(30)26-23-11-12-24(22-10-6-5-9-21(22)23)33(31,32)27-19-13-15-28(16-14-19)18(2)29/h3-12,19,27H,13-16H2,1-2H3,(H,26,30)
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6.70n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203925
PNG
(CHEMBL374979 | N-[4-(1-cyclopropanecarbonyl-piperi...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C27H29N3O4S/c1-18-6-2-3-7-21(18)26(31)28-24-12-13-25(23-9-5-4-8-22(23)24)35(33,34)29-20-14-16-30(17-15-20)27(32)19-10-11-19/h2-9,12-13,19-20,29H,10-11,14-17H2,1H3,(H,28,31)
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7.20n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203921
PNG
(CHEMBL219433 | N-[4-(1-cyclopentanecarbonyl-piperi...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)C1CCCC1
Show InChI InChI=1S/C29H33N3O4S/c1-20-8-2-5-11-23(20)28(33)30-26-14-15-27(25-13-7-6-12-24(25)26)37(35,36)31-22-16-18-32(19-17-22)29(34)21-9-3-4-10-21/h2,5-8,11-15,21-22,31H,3-4,9-10,16-19H2,1H3,(H,30,33)
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9.10n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203917
PNG
(4-(4-cyclohexylcarbamoyl-naphthalene-1-sulfonylami...)
Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(C(=O)NC2CCCCC2)c2ccccc12
Show InChI InChI=1S/C25H33N3O5S/c1-2-33-25(30)28-16-14-19(15-17-28)27-34(31,32)23-13-12-22(20-10-6-7-11-21(20)23)24(29)26-18-8-4-3-5-9-18/h6-7,10-13,18-19,27H,2-5,8-9,14-17H2,1H3,(H,26,29)
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9.5n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332969
PNG
(US10196390, Compound I-258)
Show SMILES COc1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2C#N)nc1
Show InChI InChI=1S/C20H14FN5O2/c1-28-12-5-6-17(23-9-12)26-15-7-14(25-16-10-24-20(27)19(15)16)18-11(8-22)3-2-4-13(18)21/h2-7,9H,10H2,1H3,(H,24,27)(H,23,25,26)
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM332969
PNG
(US10196390, Compound I-258)
Show SMILES COc1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2C#N)nc1
Show InChI InChI=1S/C20H14FN5O2/c1-28-12-5-6-17(23-9-12)26-15-7-14(25-16-10-24-20(27)19(15)16)18-11(8-22)3-2-4-13(18)21/h2-7,9H,10H2,1H3,(H,24,27)(H,23,25,26)
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332970
PNG
(US10196390, Compound I-259)
Show SMILES CCN(CC)C(=O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
Show InChI InChI=1S/C24H22F2N4O2/c1-3-30(4-2)24(32)14-8-10-15(11-9-14)28-19-12-18(21-16(25)6-5-7-17(21)26)29-20-13-27-23(31)22(19)20/h5-12H,3-4,13H2,1-2H3,(H,27,31)(H,28,29)
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM332970
PNG
(US10196390, Compound I-259)
Show SMILES CCN(CC)C(=O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
Show InChI InChI=1S/C24H22F2N4O2/c1-3-30(4-2)24(32)14-8-10-15(11-9-14)28-19-12-18(21-16(25)6-5-7-17(21)26)29-20-13-27-23(31)22(19)20/h5-12H,3-4,13H2,1-2H3,(H,27,31)(H,28,29)
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332971
PNG
(US10196390, Compound I-260)
Show SMILES CCNC(=O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)cn1
Show InChI InChI=1S/C21H17F2N5O2/c1-2-24-20(29)14-7-6-11(9-25-14)27-16-8-15(18-12(22)4-3-5-13(18)23)28-17-10-26-21(30)19(16)17/h3-9H,2,10H2,1H3,(H,24,29)(H,26,30)(H,27,28)
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332972
PNG
(US10196390, Compound I-261)
Show SMILES C[C@H]1CCC[C@@H](C)N1c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C25H25F2N5O/c1-14-5-3-6-15(2)32(14)16-9-10-22(28-12-16)31-20-11-19(23-17(26)7-4-8-18(23)27)30-21-13-29-25(33)24(20)21/h4,7-12,14-15H,3,5-6,13H2,1-2H3,(H,29,33)(H,28,30,31)/t14-,15+
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332973
PNG
(US10196390, Compound I-262)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCN(CCC(F)(F)F)CC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C25H23F5N6O/c26-16-2-1-3-17(27)22(16)18-12-19(23-20(33-18)14-32-24(23)37)34-21-5-4-15(13-31-21)36-10-8-35(9-11-36)7-6-25(28,29)30/h1-5,12-13H,6-11,14H2,(H,32,37)(H,31,33,34)
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332974
PNG
(US10196390, Compound I-263)
Show SMILES C[C@@H]1COC[C@@H](C)N1c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C24H23F2N5O2/c1-13-11-33-12-14(2)31(13)15-6-7-21(27-9-15)30-19-8-18(22-16(25)4-3-5-17(22)26)29-20-10-28-24(32)23(19)20/h3-9,13-14H,10-12H2,1-2H3,(H,28,32)(H,27,29,30)/t13-,14-/m1/s1
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM332974
PNG
(US10196390, Compound I-263)
Show SMILES C[C@@H]1COC[C@@H](C)N1c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C24H23F2N5O2/c1-13-11-33-12-14(2)31(13)15-6-7-21(27-9-15)30-19-8-18(22-16(25)4-3-5-17(22)26)29-20-10-28-24(32)23(19)20/h3-9,13-14H,10-12H2,1-2H3,(H,28,32)(H,27,29,30)/t13-,14-/m1/s1
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332975
PNG
(US10196390, Compound I-264)
Show SMILES C[C@H]1COC[C@H](C)N1c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C24H23F2N5O2/c1-13-11-33-12-14(2)31(13)15-6-7-21(27-9-15)30-19-8-18(22-16(25)4-3-5-17(22)26)29-20-10-28-24(32)23(19)20/h3-9,13-14H,10-12H2,1-2H3,(H,28,32)(H,27,29,30)/t13-,14-/m0/s1
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM332975
PNG
(US10196390, Compound I-264)
Show SMILES C[C@H]1COC[C@H](C)N1c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C24H23F2N5O2/c1-13-11-33-12-14(2)31(13)15-6-7-21(27-9-15)30-19-8-18(22-16(25)4-3-5-17(22)26)29-20-10-28-24(32)23(19)20/h3-9,13-14H,10-12H2,1-2H3,(H,28,32)(H,27,29,30)/t13-,14-/m0/s1
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332976
PNG
(US10196390, Compound I-265)
Show SMILES C[C@@H]1CCC[C@@H](C)N1c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C25H25F2N5O/c1-14-5-3-6-15(2)32(14)16-9-10-22(28-12-16)31-20-11-19(23-17(26)7-4-8-18(23)27)30-21-13-29-25(33)24(20)21/h4,7-12,14-15H,3,5-6,13H2,1-2H3,(H,29,33)(H,28,30,31)/t14-,15-/m1/s1
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332977
PNG
(US10196390, Compound I-266)
Show SMILES CC1(C)CN(CCC1O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C25H25F2N5O2/c1-25(2)13-32(9-8-20(25)33)14-6-7-21(28-11-14)31-18-10-17(22-15(26)4-3-5-16(22)27)30-19-12-29-24(34)23(18)19/h3-7,10-11,20,33H,8-9,12-13H2,1-2H3,(H,29,34)(H,28,30,31)
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM332977
PNG
(US10196390, Compound I-266)
Show SMILES CC1(C)CN(CCC1O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C25H25F2N5O2/c1-25(2)13-32(9-8-20(25)33)14-6-7-21(28-11-14)31-18-10-17(22-15(26)4-3-5-16(22)27)30-19-12-29-24(34)23(18)19/h3-7,10-11,20,33H,8-9,12-13H2,1-2H3,(H,29,34)(H,28,30,31)
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332978
PNG
(US10196390, Compound I-267)
Show SMILES CC1(C)CN(CC[C@@H]1O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C25H25F2N5O2/c1-25(2)13-32(9-8-20(25)33)14-6-7-21(28-11-14)31-18-10-17(22-15(26)4-3-5-16(22)27)30-19-12-29-24(34)23(18)19/h3-7,10-11,20,33H,8-9,12-13H2,1-2H3,(H,29,34)(H,28,30,31)/t20-/m0/s1
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332979
PNG
(US10196390, Compound I-268)
Show SMILES CC1(C)CN(CC[C@H]1O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C25H25F2N5O2/c1-25(2)13-32(9-8-20(25)33)14-6-7-21(28-11-14)31-18-10-17(22-15(26)4-3-5-16(22)27)30-19-12-29-24(34)23(18)19/h3-7,10-11,20,33H,8-9,12-13H2,1-2H3,(H,29,34)(H,28,30,31)/t20-/m1/s1
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332980
PNG
(US10196390, Compound I-269)
Show SMILES OC1CCCN(C1)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C23H21F2N5O2/c24-15-4-1-5-16(25)21(15)17-9-18(22-19(28-17)11-27-23(22)32)29-20-7-6-13(10-26-20)30-8-2-3-14(31)12-30/h1,4-7,9-10,14,31H,2-3,8,11-12H2,(H,27,32)(H,26,28,29)
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332981
PNG
(US10196390, Compound I-270)
Show SMILES O[C@H]1CCCN(C1)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C23H21F2N5O2/c24-15-4-1-5-16(25)21(15)17-9-18(22-19(28-17)11-27-23(22)32)29-20-7-6-13(10-26-20)30-8-2-3-14(31)12-30/h1,4-7,9-10,14,31H,2-3,8,11-12H2,(H,27,32)(H,26,28,29)/t14-/m0/s1
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM332981
PNG
(US10196390, Compound I-270)
Show SMILES O[C@H]1CCCN(C1)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C23H21F2N5O2/c24-15-4-1-5-16(25)21(15)17-9-18(22-19(28-17)11-27-23(22)32)29-20-7-6-13(10-26-20)30-8-2-3-14(31)12-30/h1,4-7,9-10,14,31H,2-3,8,11-12H2,(H,27,32)(H,26,28,29)/t14-/m0/s1
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Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
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