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Patent code US10323036

Compile Data Set for Download or QSAR

Found 218 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
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399567
PNG
(US10323036, Compound I-10)
Show SMILES COc1c(Nc2cc(Nc3ccc(C)nn3)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C21H21N11O2/c1-11-8-9-15(26-25-11)23-16-10-14(17-20(24-16)28-31(2)21(17)33)22-13-7-5-6-12(18(13)34-4)19-27-30-32(3)29-19/h5-10H,1-4H3,(H3,22,23,24,26,28)
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n/an/an/a<0.100n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399568
PNG
(US10323036, Compound I-11)
Show SMILES COc1c(Nc2cc(Nc3ccc(cn3)N3CCCCC3)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C26H29N11O2/c1-35-26(38)22-19(28-18-9-7-8-17(23(18)39-3)24-31-34-36(2)33-24)14-21(30-25(22)32-35)29-20-11-10-16(15-27-20)37-12-5-4-6-13-37/h7-11,14-15H,4-6,12-13H2,1-3H3,(H3,27,28,29,30,32)
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n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399578
PNG
(US10323036, Compound I-21)
Show SMILES COc1c(Nc2cc(Nc3cc(C)c(F)cn3)nc3[nH]n(C)c(=O)c23)cccc1-c1ncn(C)n1
Show InChI InChI=1S/C23H22FN9O2/c1-12-8-17(25-10-14(12)24)28-18-9-16(19-22(29-18)31-33(3)23(19)34)27-15-7-5-6-13(20(15)35-4)21-26-11-32(2)30-21/h5-11H,1-4H3,(H3,25,27,28,29,31)
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US Patent
n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399580
PNG
(US10323036, Compound I-23)
Show SMILES COc1c(Nc2cc(Nc3ccc(C)nn3)nc3[nH]n(C)c(=O)c23)cccc1-c1ncn(C)n1
Show InChI InChI=1S/C22H22N10O2/c1-12-8-9-16(28-27-12)25-17-10-15(18-21(26-17)30-32(3)22(18)33)24-14-7-5-6-13(19(14)34-4)20-23-11-31(2)29-20/h5-11H,1-4H3,(H3,24,25,26,28,30)
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n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399597
PNG
(US10323036, Compound I-41)
Show SMILES COc1c(Nc2cc(Nc3ccc(cn3)C#N)nc3[nH]n(C)c(=O)c23)cccc1C#N
Show InChI InChI=1S/C21H16N8O2/c1-29-21(30)18-15(25-14-5-3-4-13(10-23)19(14)31-2)8-17(27-20(18)28-29)26-16-7-6-12(9-22)11-24-16/h3-8,11H,1-2H3,(H3,24,25,26,27,28)
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n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399622
PNG
(US10323036, Compound I-66)
Show SMILES CCNC(=O)c1cccc(Nc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3c(n2)[nH]n(C)c3=O)n1
Show InChI InChI=1S/C24H25N11O3/c1-5-25-23(36)15-10-7-11-17(27-15)28-18-12-16(19-22(29-18)31-34(2)24(19)37)26-14-9-6-8-13(20(14)38-4)21-30-33-35(3)32-21/h6-12H,5H2,1-4H3,(H,25,36)(H3,26,27,28,29,31)
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n/an/an/a 0.75n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399623
PNG
(US10323036, Compound I-67)
Show SMILES COCc1ccc(Nc2cc(Nc3cccc(n3)C(F)(F)F)nc3[nH]n(C)c(=O)c23)c(OC)c1
Show InChI InChI=1S/C22H21F3N6O3/c1-31-21(32)19-14(26-13-8-7-12(11-33-2)9-15(13)34-3)10-18(29-20(19)30-31)28-17-6-4-5-16(27-17)22(23,24)25/h4-10H,11H2,1-3H3,(H3,26,27,28,29,30)
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399624
PNG
(US10323036, Compound I-68)
Show SMILES COCc1ccc(Nc2cc(Nc3cccc(n3)C#N)nc3[nH]n(C)c(=O)c23)c(OC)c1
Show InChI InChI=1S/C22H21N7O3/c1-29-22(30)20-16(25-15-8-7-13(12-31-2)9-17(15)32-3)10-19(27-21(20)28-29)26-18-6-4-5-14(11-23)24-18/h4-10H,12H2,1-3H3,(H3,24,25,26,27,28)
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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399633
PNG
(US10323036, Compound I-77)
Show SMILES COc1c(F)cccc1Nc1cc(Nc2ccc(cn2)N2CCCCC2)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C24H26FN7O2/c1-31-24(33)21-18(27-17-8-6-7-16(25)22(17)34-2)13-20(29-23(21)30-31)28-19-10-9-15(14-26-19)32-11-4-3-5-12-32/h6-10,13-14H,3-5,11-12H2,1-2H3,(H3,26,27,28,29,30)
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399641
PNG
(US10323036, Compound I-85)
Show SMILES COc1c(F)cccc1Nc1cc(Nc2cncc(n2)C#N)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C19H15FN8O2/c1-28-19(29)16-13(24-12-5-3-4-11(20)17(12)30-2)6-14(26-18(16)27-28)25-15-9-22-8-10(7-21)23-15/h3-6,8-9H,1-2H3,(H3,23,24,25,26,27)
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n/an/an/a 0.75n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399644
PNG
(US10323036, Compound I-88)
Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1N1CCCC1=O
Show InChI InChI=1S/C22H24N6O4/c1-27-22(31)18-14(11-16(24-20(18)26-27)25-21(30)12-8-9-12)23-13-5-3-6-15(19(13)32-2)28-10-4-7-17(28)29/h3,5-6,11-12H,4,7-10H2,1-2H3,(H3,23,24,25,26,30)
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399652
PNG
(US10323036, Compound I-96)
Show SMILES COc1c(Cl)cccc1Nc1cc(Nc2cc(C)nc(C)n2)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C20H20ClN7O2/c1-10-8-15(23-11(2)22-10)25-16-9-14(17-19(26-16)27-28(3)20(17)29)24-13-7-5-6-12(21)18(13)30-4/h5-9H,1-4H3,(H3,22,23,24,25,26,27)
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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399657
PNG
(US10323036, Compound I-101)
Show SMILES COc1c(Cl)cccc1Nc1cc(Nc2cc(CO)ccn2)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C20H19ClN6O3/c1-27-20(29)17-14(23-13-5-3-4-12(21)18(13)30-2)9-16(25-19(17)26-27)24-15-8-11(10-28)6-7-22-15/h3-9,28H,10H2,1-2H3,(H3,22,23,24,25,26)
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399664
PNG
(US10323036, Compound I-108)
Show SMILES Cc1cc(Nc2cc(Nc3ccccc3S(C)(=O)=O)c3c(n2)[nH]n(C)c3=O)nc(C)n1
Show InChI InChI=1S/C20H21N7O3S/c1-11-9-16(22-12(2)21-11)24-17-10-14(18-19(25-17)26-27(3)20(18)28)23-13-7-5-6-8-15(13)31(4,29)30/h5-10H,1-4H3,(H3,21,22,23,24,25,26)
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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399669
PNG
(US10323036, Compound I-113)
Show SMILES Cn1[nH]c2nc(Nc3cccc(n3)C(F)(F)F)cc(Nc3ccccc3S(C)(=O)=O)c2c1=O
Show InChI InChI=1S/C20H17F3N6O3S/c1-29-19(30)17-12(24-11-6-3-4-7-13(11)33(2,31)32)10-16(27-18(17)28-29)26-15-9-5-8-14(25-15)20(21,22)23/h3-10H,1-2H3,(H3,24,25,26,27,28)
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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399695
PNG
(US10323036, Compound I-139)
Show SMILES Cn1[nH]c2nc(Nc3ccc(cn3)C#N)cc(Nc3ccccc3S(C)(=O)=O)c2c1=O
Show InChI InChI=1S/C20H17N7O3S/c1-27-20(28)18-14(23-13-5-3-4-6-15(13)31(2,29)30)9-17(25-19(18)26-27)24-16-8-7-12(10-21)11-22-16/h3-9,11H,1-2H3,(H3,22,23,24,25,26)
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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399714
PNG
(US10323036, Compound I-191)
Show SMILES COc1c(F)cccc1Nc1cc(Nc2ccc(C(F)F)c(n2)C#N)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C21H16F3N7O2/c1-31-21(32)17-13(26-12-5-3-4-11(22)18(12)33-2)8-16(29-20(17)30-31)28-15-7-6-10(19(23)24)14(9-25)27-15/h3-8,19H,1-2H3,(H3,26,27,28,29,30)
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n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399721
PNG
(US10323036, Compound I-208)
Show SMILES Cc1ccc(Nc2cc(Nc3ccc(Cl)cc3S(C)(=O)=O)c3c(n2)[nH]n(C)c3=O)nc1C(F)(F)F
Show InChI InChI=1S/C21H18ClF3N6O3S/c1-10-4-7-15(28-18(10)21(23,24)25)27-16-9-13(17-19(29-16)30-31(2)20(17)32)26-12-6-5-11(22)8-14(12)35(3,33)34/h4-9H,1-3H3,(H3,26,27,28,29,30)
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n/an/an/a 0.75n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399729
PNG
(US10323036, Compound I-216)
Show SMILES CN(c1ccccc1Nc1cc(NC(=O)[C@@H]2C[C@@H]2F)nc2[nH]n(C)c(=O)c12)S(C)(=O)=O
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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399736
PNG
(US10323036, Compound I-223)
Show SMILES COc1cccnc1Nc1cc(NC(=O)C2CC2)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C17H18N6O3/c1-23-17(25)13-10(19-14-11(26-2)4-3-7-18-14)8-12(20-15(13)22-23)21-16(24)9-5-6-9/h3-4,7-9H,5-6H2,1-2H3,(H3,18,19,20,21,22,24)
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399746
PNG
(US10323036, Compound I-235)
Show SMILES CN(c1cc(ccc1Nc1cc(NC(=O)C2CC2)nc2[nH]n(C)c(=O)c12)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C20H21F3N6O4S/c1-28-19(31)16-13(9-15(25-17(16)27-28)26-18(30)10-4-5-10)24-12-7-6-11(20(21,22)23)8-14(12)29(2)34(3,32)33/h6-10H,4-5H2,1-3H3,(H3,24,25,26,27,30)
PDB

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PC sid
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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399760
PNG
(US10323036, Compound VIII-8)
Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)ncc2-c2ccon2)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C21H20N8O3/c1-29-26-20(25-28-29)13-4-3-5-16(19(13)31-2)23-17-10-18(24-21(30)12-6-7-12)22-11-14(17)15-8-9-32-27-15/h3-5,8-12H,6-7H2,1-2H3,(H2,22,23,24,30)
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399766
PNG
(US10323036, Compound VIII-14)
Show SMILES COc1c(Nc2cc(Nc3cc(C)nc(C)n3)ncc2-c2nnc(CO)o2)cccc1-c1ncn(C)n1
Show InChI InChI=1S/C24H24N10O3/c1-13-8-20(28-14(2)27-13)30-19-9-18(16(10-25-19)24-32-31-21(11-35)37-24)29-17-7-5-6-15(22(17)36-4)23-26-12-34(3)33-23/h5-10,12,35H,11H2,1-4H3,(H2,25,27,28,29,30)
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n/an/an/a<0.100n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399768
PNG
(US10323036, Compound VIII-16)
Show SMILES COc1c(Nc2cc(Nc3ccc(C)nn3)ncc2-c2ncc(Cl)s2)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C22H19ClN10OS/c1-12-7-8-18(29-28-12)27-19-9-16(14(10-24-19)22-25-11-17(23)35-22)26-15-6-4-5-13(20(15)34-3)21-30-32-33(2)31-21/h4-11H,1-3H3,(H2,24,26,27,29)
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n/an/an/a<0.100n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399569
PNG
(US10323036, Compound I-12)
Show SMILES COc1c(Nc2cc(Nc3ccc(cn3)C#N)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C22H19N11O2/c1-32-22(34)18-15(9-17(27-21(18)29-32)26-16-8-7-12(10-23)11-24-16)25-14-6-4-5-13(19(14)35-3)20-28-31-33(2)30-20/h4-9,11H,1-3H3,(H3,24,25,26,27,29)
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n/an/an/a<0.100n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399570
PNG
(US10323036, Compound I-13)
Show SMILES COc1c(Nc2cc(Nc3ccn(C)n3)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C20H21N11O2/c1-29-9-8-14(25-29)22-15-10-13(16-19(23-15)26-30(2)20(16)32)21-12-7-5-6-11(17(12)33-4)18-24-28-31(3)27-18/h5-10H,1-4H3,(H3,21,22,23,25,26)
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n/an/an/a<0.100n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399571
PNG
(US10323036, Compound I-14)
Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1-c1ncn(C)n1
Show InChI InChI=1S/C21H22N8O3/c1-28-10-22-18(26-28)12-5-4-6-13(17(12)32-3)23-14-9-15(25-20(30)11-7-8-11)24-19-16(14)21(31)29(2)27-19/h4-6,9-11H,7-8H2,1-3H3,(H3,23,24,25,27,30)
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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399572
PNG
(US10323036, Compound I-15)
Show SMILES COCc1ccnc(Nc2cc(Nc3cccc(-c4ncn(C)n4)c3OC)c3c(n2)[nH]n(C)c3=O)c1
Show InChI InChI=1S/C24H25N9O3/c1-32-13-26-22(30-32)15-6-5-7-16(21(15)36-4)27-17-11-19(29-23-20(17)24(34)33(2)31-23)28-18-10-14(12-35-3)8-9-25-18/h5-11,13H,12H2,1-4H3,(H3,25,27,28,29,31)
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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399577
PNG
(US10323036, Compound I-20)
Show SMILES COc1c(Nc2cc(Nc3ccc(cn3)N3CCOCC3)nc3[nH]n(C)c(=O)c23)cccc1-c1ncn(C)n1
Show InChI InChI=1S/C26H28N10O3/c1-34-15-28-24(32-34)17-5-4-6-18(23(17)38-3)29-19-13-21(31-25-22(19)26(37)35(2)33-25)30-20-8-7-16(14-27-20)36-9-11-39-12-10-36/h4-8,13-15H,9-12H2,1-3H3,(H3,27,29,30,31,33)
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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399586
PNG
(US10323036, Compound I-30)
Show SMILES COc1c(Nc2cc(Nc3cccc(n3)C#N)nc3[nH]n(C)c(=O)c23)cccc1-c1ncn(C)n1
Show InChI InChI=1S/C23H20N10O2/c1-32-12-25-21(30-32)14-7-5-8-15(20(14)35-3)27-16-10-18(28-17-9-4-6-13(11-24)26-17)29-22-19(16)23(34)33(2)31-22/h4-10,12H,1-3H3,(H3,26,27,28,29,31)
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n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399590
PNG
(US10323036, Compound I-34)
Show SMILES COc1c(Nc2cc(Nc3ccc(C)cn3)nc3[nH]n(C)c(=O)c23)cccc1C#N
Show InChI InChI=1S/C21H19N7O2/c1-12-7-8-16(23-11-12)25-17-9-15(18-20(26-17)27-28(2)21(18)29)24-14-6-4-5-13(10-22)19(14)30-3/h4-9,11H,1-3H3,(H3,23,24,25,26,27)
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399614
PNG
(US10323036, Compound I-58)
Show SMILES COc1c(Nc2cc(Nc3ccc(cn3)N3CCCC3)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C25H27N11O2/c1-34-25(37)21-18(27-17-8-6-7-16(22(17)38-3)23-30-33-35(2)32-23)13-20(29-24(21)31-34)28-19-10-9-15(14-26-19)36-11-4-5-12-36/h6-10,13-14H,4-5,11-12H2,1-3H3,(H3,26,27,28,29,31)
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399616
PNG
(US10323036, Compound I-60)
Show SMILES COc1c(Nc2cc(Nc3cccc(n3)C(F)(F)F)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C22H19F3N10O2/c1-34-21(36)17-13(26-12-7-4-6-11(18(12)37-3)19-30-33-35(2)32-19)10-16(29-20(17)31-34)28-15-9-5-8-14(27-15)22(23,24)25/h4-10H,1-3H3,(H3,26,27,28,29,31)
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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399628
PNG
(US10323036, Compound I-72)
Show SMILES COc1cc(CO)ccc1Nc1cc(Nc2cccc(n2)C(F)(F)F)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C21H19F3N6O3/c1-30-20(32)18-13(25-12-7-6-11(10-31)8-14(12)33-2)9-17(28-19(18)29-30)27-16-5-3-4-15(26-16)21(22,23)24/h3-9,31H,10H2,1-2H3,(H3,25,26,27,28,29)
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399629
PNG
(US10323036, Compound I-73)
Show SMILES COc1c(F)cccc1Nc1cc(Nc2cc(C)c(F)cn2)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C20H18F2N6O2/c1-10-7-15(23-9-12(10)22)25-16-8-14(17-19(26-16)27-28(2)20(17)29)24-13-6-4-5-11(21)18(13)30-3/h4-9H,1-3H3,(H3,23,24,25,26,27)
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399670
PNG
(US10323036, Compound I-114)
Show SMILES CCNC(=O)c1ccc(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)c(OC)c1
Show InChI InChI=1S/C21H24N6O4/c1-4-22-19(28)12-7-8-13(15(9-12)31-3)23-14-10-16(25-20(29)11-5-6-11)24-18-17(14)21(30)27(2)26-18/h7-11H,4-6H2,1-3H3,(H,22,28)(H3,23,24,25,26,29)
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399677
PNG
(US10323036, Compound I-121)
Show SMILES COc1c(Nc2cc(Nc3ccc(C)nn3)nc3[nH]n(C)c(=O)c23)cccc1-c1ccn(C)n1
Show InChI InChI=1S/C23H23N9O2/c1-13-8-9-18(28-27-13)25-19-12-17(20-22(26-19)30-32(3)23(20)33)24-16-7-5-6-14(21(16)34-4)15-10-11-31(2)29-15/h5-12H,1-4H3,(H3,24,25,26,28,30)
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n/an/an/a 0.75n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399686
PNG
(US10323036, Compound I-130)
Show SMILES COc1c(Cl)cccc1Nc1cc(Nc2ccc(C(=O)N3CCOCC3)c(n2)C(F)(F)F)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C25H23ClF3N7O4/c1-35-24(38)19-16(30-15-5-3-4-14(26)20(15)39-2)12-18(33-22(19)34-35)31-17-7-6-13(21(32-17)25(27,28)29)23(37)36-8-10-40-11-9-36/h3-7,12H,8-11H2,1-2H3,(H3,30,31,32,33,34)
PDB

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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399688
PNG
(US10323036, Compound I-132)
Show SMILES COc1c(Cl)cccc1Nc1cc(Nc2ccc(C)c(n2)C#N)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C21H18ClN7O2/c1-11-7-8-16(25-15(11)10-23)26-17-9-14(18-20(27-17)28-29(2)21(18)30)24-13-6-4-5-12(22)19(13)31-3/h4-9H,1-3H3,(H3,24,25,26,27,28)
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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399691
PNG
(US10323036, Compound I-135)
Show SMILES COc1c(Cl)cccc1Nc1cc(Nc2cnc(C)c(n2)C#N)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C20H17ClN8O2/c1-10-14(8-22)25-16(9-23-10)26-15-7-13(17-19(27-15)28-29(2)20(17)30)24-12-6-4-5-11(21)18(12)31-3/h4-7,9H,1-3H3,(H3,24,25,26,27,28)
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399706
PNG
(US10323036, Compound I-151)
Show SMILES Cn1[nH]c2nc(NC(=O)C3CC3)cc(Nc3ccc(cc3OC(F)F)C(=O)N3CCCC3)c2c1=O
Show InChI InChI=1S/C23H24F2N6O4/c1-30-22(34)18-15(11-17(27-19(18)29-30)28-20(32)12-4-5-12)26-14-7-6-13(10-16(14)35-23(24)25)21(33)31-8-2-3-9-31/h6-7,10-12,23H,2-5,8-9H2,1H3,(H3,26,27,28,29,32)
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399713
PNG
(US10323036, Compound I-190)
Show SMILES COc1c(F)cccc1Nc1cc(Nc2cnc(c(n2)C#N)C(C)(C)OC)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C23H23FN8O3/c1-23(2,35-5)20-15(10-25)28-17(11-26-20)29-16-9-14(18-21(30-16)31-32(3)22(18)33)27-13-8-6-7-12(24)19(13)34-4/h6-9,11H,1-5H3,(H3,27,28,29,30,31)
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n/an/an/a 0.75n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399720
PNG
(US10323036, Compound I-207)
Show SMILES Cc1ncc(Nc2cc(Nc3ccc(Cl)cc3S(C)(=O)=O)c3c(n2)[nH]n(C)c3=O)nc1C
Show InChI InChI=1S/C20H20ClN7O3S/c1-10-11(2)23-17(9-22-10)25-16-8-14(18-19(26-16)27-28(3)20(18)29)24-13-6-5-12(21)7-15(13)32(4,30)31/h5-9H,1-4H3,(H3,23,24,25,26,27)
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399724
PNG
(US10323036, Compound I-211)
Show SMILES Cc1ncc(Nc2cc(Nc3ccc(cc3S(C)(=O)=O)C3CC3)c3c(n2)[nH]n(C)c3=O)nc1C
Show InChI InChI=1S/C23H25N7O3S/c1-12-13(2)25-20(11-24-12)27-19-10-17(21-22(28-19)29-30(3)23(21)31)26-16-8-7-15(14-5-6-14)9-18(16)34(4,32)33/h7-11,14H,5-6H2,1-4H3,(H3,25,26,27,28,29)
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n/an/an/a 0.75n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399743
PNG
(US10323036, Compound I-231)
Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1C(O)=O
Show InChI InChI=1S/C19H19N5O5/c1-24-18(26)14-12(20-11-5-3-4-10(19(27)28)15(11)29-2)8-13(21-16(14)23-24)22-17(25)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,27,28)(H3,20,21,22,23,25)
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399747
PNG
(US10323036, Compound I-236)
Show SMILES CN(c1cc(ccc1Nc1cc(NC(=O)[C@@H]2C[C@@H]2F)nc2[nH]n(C)c(=O)c12)C1CCC1)S(C)(=O)=O
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n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399754
PNG
(US10323036, Compound VIII-2)
Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)ncc2-c2ncc(F)s2)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C21H19FN8O2S/c1-30-28-19(27-29-30)12-4-3-5-14(18(12)32-2)25-15-8-17(26-20(31)11-6-7-11)23-9-13(15)21-24-10-16(22)33-21/h3-5,8-11H,6-7H2,1-2H3,(H2,23,25,26,31)
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n/an/an/a 0.75n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399767
PNG
(US10323036, Compound VIII-15)
Show SMILES COc1c(Nc2cc(Nc3cccc(n3)C#N)ncc2-c2ncc(Cl)s2)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C23H17ClN10OS/c1-34-32-22(31-33-34)14-6-4-7-16(21(14)35-2)29-17-9-20(30-19-8-3-5-13(10-25)28-19)26-11-15(17)23-27-12-18(24)36-23/h3-9,11-12H,1-2H3,(H2,26,28,29,30)
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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399773
PNG
(US10323036, Compound XVI-4)
Show SMILES CCc1nn(-c2cccc(-c3nnn(C)n3)c2OC)c2cc(NC(=O)C3CC3)ncc12
Show InChI InChI=1S/C21H22N8O2/c1-4-15-14-11-22-18(23-21(30)12-8-9-12)10-17(14)29(25-15)16-7-5-6-13(19(16)31-3)20-24-27-28(2)26-20/h5-7,10-12H,4,8-9H2,1-3H3,(H,22,23,30)
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n/an/an/a<0.100n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399576
PNG
(US10323036, Compound I-19)
Show SMILES COc1c(Nc2cc(Nc3cc(CO)ccn3)nc3[nH]n(C)c(=O)c23)cccc1-c1ncn(C)n1
Show InChI InChI=1S/C23H23N9O3/c1-31-12-25-21(29-31)14-5-4-6-15(20(14)35-3)26-16-10-18(27-17-9-13(11-33)7-8-24-17)28-22-19(16)23(34)32(2)30-22/h4-10,12,33H,11H2,1-3H3,(H3,24,26,27,28,30)
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10323036 (2019)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%