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Compile Data Set for Download or QSAR

Found 352 hits with Last Name = 'kulkarni' and Initial = 'b'   
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202150
PNG
(US9233983, I-20)
Show SMILES OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
Show InChI InChI=1S/C36H33F2N5O4/c37-24-15-26(28(20-44)32(16-24)43-9-12-47-33-14-23(22-2-3-22)13-29(38)34(33)36(43)45)25-5-6-39-35-27(25)17-31(41-35)30-4-1-21(18-40-30)19-42-7-10-46-11-8-42/h1,4-6,13-18,22,44H,2-3,7-12,19-20H2,(H,39,41)
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n/an/a 0.550n/an/an/an/an/an/a



ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202149
PNG
(US9233983, I-19)
Show SMILES OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCN(CC(F)F)CC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
Show InChI InChI=1S/C38H36F4N6O3/c39-25-15-27(29(21-49)33(16-25)48-11-12-51-34-14-24(23-2-3-23)13-30(40)36(34)38(48)50)26-5-6-43-37-28(26)17-32(45-37)31-4-1-22(18-44-31)19-46-7-9-47(10-8-46)20-35(41)42/h1,4-6,13-18,23,35,49H,2-3,7-12,19-21H2,(H,43,45)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202226
PNG
(US9233983, R-5)
Show SMILES CCN1CC(C1)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:12|
Show InChI InChI=1S/C37H38FN5O4/c1-2-41-19-25(20-41)36(45)42-12-9-23(10-13-42)31-18-28-27(8-11-39-35(28)40-31)26-4-3-5-32(29(26)21-44)43-14-15-47-33-17-24(22-6-7-22)16-30(38)34(33)37(43)46/h3-5,8-9,11,16-18,22,25,44H,2,6-7,10,12-15,19-21H2,1H3,(H,39,40)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RET


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50362985
PNG
(CHEMBL1945502)
Show SMILES COc1ccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)cc1CCCN(C)C
Show InChI InChI=1S/C24H26ClN5OS/c1-30(2)10-4-5-15-11-18(7-9-21(15)31-3)27-24-26-14-16-12-22(32)28-20-13-17(25)6-8-19(20)23(16)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,28,32)(H,26,27,29)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202198
PNG
(US9233983, P-13)
Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20|
Show InChI InChI=1S/C35H34FN5O4/c36-28-17-23(21-5-6-21)18-31-32(28)34(43)41(15-16-45-31)30-4-1-3-24(27(30)20-42)25-7-10-37-33-26(25)19-29(38-33)22-8-13-40(14-9-22)35(44)39-11-2-12-39/h1,3-4,7-8,10,17-19,21,42H,2,5-6,9,11-16,20H2,(H,37,38)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202199
PNG
(US9233983, P-14)
Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:8|
Show InChI InChI=1S/C34H34FN5O4/c1-38(2)34(43)39-12-9-21(10-13-39)28-18-25-24(8-11-36-32(25)37-28)23-4-3-5-29(26(23)19-41)40-14-15-44-30-17-22(20-6-7-20)16-27(35)31(30)33(40)42/h3-5,8-9,11,16-18,20,41H,6-7,10,12-15,19H2,1-2H3,(H,36,37)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202200
PNG
(US9233983, P-15)
Show SMILES CC1(O)CN(C1)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:12|
Show InChI InChI=1S/C36H36FN5O5/c1-36(46)19-41(20-36)35(45)40-11-8-22(9-12-40)29-17-26-25(7-10-38-33(26)39-29)24-3-2-4-30(27(24)18-43)42-13-14-47-31-16-23(21-5-6-21)15-28(37)32(31)34(42)44/h2-4,7-8,10,15-17,21,43,46H,5-6,9,11-14,18-20H2,1H3,(H,38,39)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202131
PNG
(US9233983, I-2)
Show SMILES CN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1
Show InChI InChI=1S/C37H37FN6O3/c1-42-11-13-43(14-12-42)21-23-5-8-31(40-20-23)32-19-28-27(9-10-39-36(28)41-32)26-3-2-4-33(29(26)22-45)44-15-16-47-34-18-25(24-6-7-24)17-30(38)35(34)37(44)46/h2-5,8-10,17-20,24,45H,6-7,11-16,21-22H2,1H3,(H,39,41)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202215
PNG
(US9233983, P-30)
Show SMILES OCC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:7|
Show InChI InChI=1S/C33H31FN4O5/c34-26-14-21(19-4-5-19)15-29-31(26)33(42)38(12-13-43-29)28-3-1-2-22(25(28)17-39)23-6-9-35-32-24(23)16-27(36-32)20-7-10-37(11-8-20)30(41)18-40/h1-3,6-7,9,14-16,19,39-40H,4-5,8,10-13,17-18H2,(H,35,36)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202220
PNG
(US9233983, Q-3)
Show SMILES OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)-c1ccc(OC2CCN(CC2)C2COC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
Show InChI InChI=1S/C39H37F2N5O5/c40-24-15-29(31(19-47)35(16-24)46-11-12-50-36-14-23(22-1-2-22)13-32(41)37(36)39(46)48)28-5-8-42-38-30(28)17-34(44-38)33-4-3-27(18-43-33)51-26-6-9-45(10-7-26)25-20-49-21-25/h3-5,8,13-18,22,25-26,47H,1-2,6-7,9-12,19-21H2,(H,42,44)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Abl1


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202212
PNG
(US9233983, P-27)
Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CC#N)N1CCOc2cc(ccc2C1=O)C1CC1 |t:20|
Show InChI InChI=1S/C34H31N5O4/c35-12-8-32(41)38-14-10-22(11-15-38)29-19-27-25(9-13-36-33(27)37-29)24-2-1-3-30(28(24)20-40)39-16-17-43-31-18-23(21-4-5-21)6-7-26(31)34(39)42/h1-3,6-7,9-10,13,18-19,21,40H,4-5,8,11,14-17,20H2,(H,36,37)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202207
PNG
(US9233983, P-22)
Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC2)CC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20|
Show InChI InChI=1S/C36H36FN5O4/c37-29-17-24(22-5-6-22)18-32-34(29)36(45)42(15-16-46-32)31-4-1-3-25(28(31)21-43)26-7-10-38-35-27(26)19-30(39-35)23-8-13-40(14-9-23)20-33(44)41-11-2-12-41/h1,3-4,7-8,10,17-19,22,43H,2,5-6,9,11-16,20-21H2,(H,38,39)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202214
PNG
(US9233983, P-29)
Show SMILES CC(O)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:8|
Show InChI InChI=1/C34H33FN4O5/c1-19(41)33(42)38-11-8-21(9-12-38)28-17-25-24(7-10-36-32(25)37-28)23-3-2-4-29(26(23)18-40)39-13-14-44-30-16-22(20-5-6-20)15-27(35)31(30)34(39)43/h2-4,7-8,10,15-17,19-20,40-41H,5-6,9,11-14,18H2,1H3,(H,36,37)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202147
PNG
(US9233983, I-17)
Show SMILES OCc1c(cc(F)cc1-c1ccnc2[nH]c(CN3CCN(CC3)C3COC3)cc12)N1CCOc2cc(cc(F)c2C1=O)C1CC1
Show InChI InChI=1S/C34H35F2N5O4/c35-22-13-26(25-3-4-37-33-27(25)15-23(38-33)16-39-5-7-40(8-6-39)24-18-44-19-24)28(17-42)30(14-22)41-9-10-45-31-12-21(20-1-2-20)11-29(36)32(31)34(41)43/h3-4,11-15,20,24,42H,1-2,5-10,16-19H2,(H,37,38)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202201
PNG
(US9233983, P-16)
Show SMILES OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1COC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:21|
Show InChI InChI=1S/C34H32F2N4O4/c35-22-13-25(24-3-6-37-33-26(24)15-29(38-33)20-4-7-39(8-5-20)23-17-43-18-23)27(16-41)30(14-22)40-9-10-44-31-12-21(19-1-2-19)11-28(36)32(31)34(40)42/h3-4,6,11-15,19,23,41H,1-2,5,7-10,16-18H2,(H,37,38)
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n/an/a 1.30n/an/an/an/an/an/a



ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202208
PNG
(US9233983, P-23)
Show SMILES CC(C)(O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:8|
Show InChI InChI=1S/C35H37FN4O4/c1-35(2,43)20-39-12-9-22(10-13-39)29-18-26-25(8-11-37-33(26)38-29)24-4-3-5-30(27(24)19-41)40-14-15-44-31-17-23(21-6-7-21)16-28(36)32(31)34(40)42/h3-5,8-9,11,16-18,21,41,43H,6-7,10,12-15,19-20H2,1-2H3,(H,37,38)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202144
PNG
(US9233983, I-15)
Show SMILES CN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1=O
Show InChI InChI=1S/C37H35FN6O4/c1-42-11-12-43(20-34(42)46)19-22-5-8-30(40-18-22)31-17-27-26(9-10-39-36(27)41-31)25-3-2-4-32(28(25)21-45)44-13-14-48-33-16-24(23-6-7-23)15-29(38)35(33)37(44)47/h2-5,8-10,15-18,23,45H,6-7,11-14,19-21H2,1H3,(H,39,41)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202223
PNG
(US9233983, R-2)
Show SMILES CCN1CC(C1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:10|
Show InChI InChI=1S/C36H38FN5O3/c1-2-40-19-25(20-40)41-12-9-23(10-13-41)31-18-28-27(8-11-38-35(28)39-31)26-4-3-5-32(29(26)21-43)42-14-15-45-33-17-24(22-6-7-22)16-30(37)34(33)36(42)44/h3-5,8-9,11,16-18,22,25,43H,2,6-7,10,12-15,19-21H2,1H3,(H,38,39)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202145
PNG
(US9233983, I-16)
Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCN(CC(F)(F)F)CC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
Show InChI InChI=1S/C38H36F4N6O3/c39-30-16-25(24-5-6-24)17-34-35(30)37(50)48(14-15-51-34)33-3-1-2-26(29(33)21-49)27-8-9-43-36-28(27)18-32(45-36)31-7-4-23(19-44-31)20-46-10-12-47(13-11-46)22-38(40,41)42/h1-4,7-9,16-19,24,49H,5-6,10-15,20-22H2,(H,43,45)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RET


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202225
PNG
(US9233983, R-4)
Show SMILES CN1CC(C1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:9|
Show InChI InChI=1S/C35H36FN5O3/c1-39-18-24(19-39)40-11-8-22(9-12-40)30-17-27-26(7-10-37-34(27)38-30)25-3-2-4-31(28(25)20-42)41-13-14-44-32-16-23(21-5-6-21)15-29(36)33(32)35(41)43/h2-4,7-8,10,15-17,21,24,42H,5-6,9,11-14,18-20H2,1H3,(H,37,38)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202122
PNG
(US9233983, D-14)
Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1CCN(CC1)C1COC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
Show InChI InChI=1S/C37H37FN6O4/c38-31-14-23(22-4-5-22)15-34-35(31)37(46)43(12-13-48-34)33-3-1-2-27(30(33)19-45)28-6-9-39-36-29(28)16-32(41-36)24-17-40-44(18-24)25-7-10-42(11-8-25)26-20-47-21-26/h1-3,6,9,14-18,22,25-26,45H,4-5,7-8,10-13,19-21H2,(H,39,41)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202203
PNG
(US9233983, P-18)
Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCOCC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20|
Show InChI InChI=1S/C36H36FN5O5/c37-29-18-24(22-4-5-22)19-32-33(29)35(44)42(14-17-47-32)31-3-1-2-25(28(31)21-43)26-6-9-38-34-27(26)20-30(39-34)23-7-10-40(11-8-23)36(45)41-12-15-46-16-13-41/h1-3,6-7,9,18-20,22,43H,4-5,8,10-17,21H2,(H,38,39)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202143
PNG
(US9233983, I-14)
Show SMILES CC1CN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC(C)N1C
Show InChI InChI=1/C39H41FN6O3/c1-23-19-45(20-24(2)44(23)3)21-25-7-10-33(42-18-25)34-17-30-29(11-12-41-38(30)43-34)28-5-4-6-35(31(28)22-47)46-13-14-49-36-16-27(26-8-9-26)15-32(40)37(36)39(46)48/h4-7,10-12,15-18,23-24,26,47H,8-9,13-14,19-22H2,1-3H3,(H,41,43)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202148
PNG
(US9233983, I-18)
Show SMILES OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCN(CC(F)(F)F)CC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
Show InChI InChI=1S/C38H35F5N6O3/c39-25-15-27(29(20-50)33(16-25)49-11-12-52-34-14-24(23-2-3-23)13-30(40)35(34)37(49)51)26-5-6-44-36-28(26)17-32(46-36)31-4-1-22(18-45-31)19-47-7-9-48(10-8-47)21-38(41,42)43/h1,4-6,13-18,23,50H,2-3,7-12,19-21H2,(H,44,46)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202091
PNG
(US9233983, B-10)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc3c(ncnc3[nH]2)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C2CC2)CC1
Show InChI InChI=1S/C36H35N7O2/c1-41-13-15-42(16-14-41)20-23-5-7-25(8-6-23)32-18-30-34(37-22-38-35(30)40-32)29-3-2-4-33(31(29)21-44)43-36(45)28-12-11-26(24-9-10-24)17-27(28)19-39-43/h2-8,11-12,17-19,22,24,44H,9-10,13-16,20-21H2,1H3,(H,37,38,40)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202136
PNG
(US9233983, I-7)
Show SMILES CC(C)N1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
Show InChI InChI=1S/C39H42N6O3/c1-25(2)44-16-14-43(15-17-44)23-26-6-11-34(41-22-26)35-21-32-30(12-13-40-38(32)42-35)29-4-3-5-36(33(29)24-46)45-18-19-48-37-20-28(27-7-8-27)9-10-31(37)39(45)47/h3-6,9-13,20-22,25,27,46H,7-8,14-19,23-24H2,1-2H3,(H,40,42)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202142
PNG
(US9233983, I-13)
Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCN(CC2)C2COC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
Show InChI InChI=1S/C39H39FN6O4/c40-32-16-26(25-5-6-25)17-36-37(32)39(48)46(14-15-50-36)35-3-1-2-28(31(35)21-47)29-8-9-41-38-30(29)18-34(43-38)33-7-4-24(19-42-33)20-44-10-12-45(13-11-44)27-22-49-23-27/h1-4,7-9,16-19,25,27,47H,5-6,10-15,20-23H2,(H,41,43)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202141
PNG
(US9233983, I-12)
Show SMILES CCN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1
Show InChI InChI=1S/C38H39FN6O3/c1-2-43-12-14-44(15-13-43)22-24-6-9-32(41-21-24)33-20-29-28(10-11-40-37(29)42-33)27-4-3-5-34(30(27)23-46)45-16-17-48-35-19-26(25-7-8-25)18-31(39)36(35)38(45)47/h3-6,9-11,18-21,25,46H,2,7-8,12-17,22-23H2,1H3,(H,40,42)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202174
PNG
(US9233983, K-22)
Show SMILES NC(=O)c1ccc(nc1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
Show InChI InChI=1S/C32H27N5O4/c33-30(39)20-7-9-26(35-16-20)27-15-24-22(10-11-34-31(24)36-27)21-2-1-3-28(25(21)17-38)37-12-13-41-29-14-19(18-4-5-18)6-8-23(29)32(37)40/h1-3,6-11,14-16,18,38H,4-5,12-13,17H2,(H2,33,39)(H,34,36)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202189
PNG
(US9233983, P-5)
Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO |c:8|
Show InChI InChI=1S/C34H35N5O4/c1-37(2)34(42)38-14-11-22(12-15-38)29-19-27-25(10-13-35-32(27)36-29)24-4-3-5-30(28(24)20-40)39-16-17-43-31-18-23(21-6-7-21)8-9-26(31)33(39)41/h3-5,8-11,13,18-19,21,40H,6-7,12,14-17,20H2,1-2H3,(H,35,36)
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n/an/a 2n/an/an/an/an/an/a



ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202133
PNG
(US9233983, I-4)
Show SMILES CCN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
Show InChI InChI=1S/C38H40N6O3/c1-2-42-14-16-43(17-15-42)23-25-6-11-33(40-22-25)34-21-31-29(12-13-39-37(31)41-34)28-4-3-5-35(32(28)24-45)44-18-19-47-36-20-27(26-7-8-26)9-10-30(36)38(44)46/h3-6,9-13,20-22,26,45H,2,7-8,14-19,23-24H2,1H3,(H,39,41)
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n/an/a 2n/an/an/an/an/an/a



ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202117
PNG
(US9233983, D-9)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ncc2cc(ccc2c1=O)C1CC1
Show InChI InChI=1S/C33H32N8O2/c1-39-11-9-24(10-12-39)40-17-23(16-36-40)29-14-27-31(34-19-35-32(27)38-29)26-3-2-4-30(28(26)18-42)41-33(43)25-8-7-21(20-5-6-20)13-22(25)15-37-41/h2-4,7-8,13-17,19-20,24,42H,5-6,9-12,18H2,1H3,(H,34,35,38)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM232938
PNG
(US9351973, 7)
Show SMILES Cc1c(nn2CCC(=O)Nc12)-c1cncc(C)c1
Show InChI InChI=1S/C13H14N4O/c1-8-5-10(7-14-6-8)12-9(2)13-15-11(18)3-4-17(13)16-12/h5-7H,3-4H2,1-2H3,(H,15,18)
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n/an/a 2.20n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


US Patent US9351973 (2016)


BindingDB Entry DOI: 10.7270/Q2D799BC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202222
PNG
(US9233983, R-1)
Show SMILES CC(=O)N1CC(C1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:11|
Show InChI InChI=1S/C36H36FN5O4/c1-21(44)41-18-25(19-41)40-11-8-23(9-12-40)31-17-28-27(7-10-38-35(28)39-31)26-3-2-4-32(29(26)20-43)42-13-14-46-33-16-24(22-5-6-22)15-30(37)34(33)36(42)45/h2-4,7-8,10,15-17,22,25,43H,5-6,9,11-14,18-20H2,1H3,(H,38,39)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (Human))
US9844553, 7
PNG
(US9351973, 7)
Show SMILES Cc1c(nn2CCC(=O)Nc12)-c1cncc(C)c1
Show InChI InChI=1S/C13H14N4O/c1-8-5-10(7-14-6-8)12-9(2)13-15-11(18)3-4-17(13)16-12/h5-7H,3-4H2,1-2H3,(H,15,18)
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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9844553 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-Raf


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202202
PNG
(US9233983, P-17)
Show SMILES OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1COC1)N1CCOc2cc(ccc2C1=O)C1CC1 |t:21|
Show InChI InChI=1S/C34H33FN4O4/c35-23-14-27(25-5-8-36-33-28(25)16-30(37-33)21-6-9-38(10-7-21)24-18-42-19-24)29(17-40)31(15-23)39-11-12-43-32-13-22(20-1-2-20)3-4-26(32)34(39)41/h3-6,8,13-16,20,24,40H,1-2,7,9-12,17-19H2,(H,36,37)
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n/an/a 2.5n/an/an/an/an/an/a



ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-Raf


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DDR2


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202218
PNG
(US9233983, Q-1)
Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
Show InChI InChI=1S/C37H36FN5O5/c38-30-18-24(23-4-5-23)19-34-35(30)37(45)43(13-17-48-34)33-3-1-2-26(29(33)22-44)27-8-9-39-36-28(27)20-32(41-36)31-7-6-25(21-40-31)47-16-12-42-10-14-46-15-11-42/h1-3,6-9,18-21,23,44H,4-5,10-17,22H2,(H,39,41)
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n/an/a 2.90n/an/an/an/an/an/a



ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202094
PNG
(US9233983, B-13)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
Show InChI InChI=1S/C38H39N5O3/c1-41-15-17-42(18-16-41)23-25-5-7-27(8-6-25)34-22-32-30(13-14-39-37(32)40-34)29-3-2-4-35(33(29)24-44)43-19-20-46-36-21-28(26-9-10-26)11-12-31(36)38(43)45/h2-8,11-14,21-22,26,44H,9-10,15-20,23-24H2,1H3,(H,39,40)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202134
PNG
(US9233983, I-5)
Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCN(CC2)C2CC2)cn1)N1CCOc2cc(ccc2C1=O)C1CC1
Show InChI InChI=1S/C39H40N6O3/c46-24-33-29(2-1-3-36(33)45-18-19-48-37-20-27(26-5-6-26)7-10-31(37)39(45)47)30-12-13-40-38-32(30)21-35(42-38)34-11-4-25(22-41-34)23-43-14-16-44(17-15-43)28-8-9-28/h1-4,7,10-13,20-22,26,28,46H,5-6,8-9,14-19,23-24H2,(H,40,42)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202127
PNG
(US9233983, G-1)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
Show InChI InChI=1S/C37H37N5O4/c1-41-15-13-27(14-16-41)46-26-10-7-24(8-11-26)32-20-30-35(38-22-39-36(30)40-32)28-3-2-4-33(31(28)21-43)42-17-18-45-34-19-25(23-5-6-23)9-12-29(34)37(42)44/h2-4,7-12,19-20,22-23,27,43H,5-6,13-18,21H2,1H3,(H,38,39,40)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202124
PNG
(US9233983, F-1)
Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1COC1)N1CCOc2cc(ccc2C1=O)C1CC1
Show InChI InChI=1S/C32H29N5O4/c38-16-27-23(24-8-9-33-31-26(24)13-28(35-31)21-14-34-37(15-21)22-17-40-18-22)2-1-3-29(27)36-10-11-41-30-12-20(19-4-5-19)6-7-25(30)32(36)39/h1-3,6-9,12-15,19,22,38H,4-5,10-11,16-18H2,(H,33,35)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202121
PNG
(US9233983, D-13)
Show SMILES CCN1CCC(CC1)n1cc(cn1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ncc2cc(ccc2c1=O)C1CC1
Show InChI InChI=1S/C34H34N8O2/c1-2-40-12-10-25(11-13-40)41-18-24(17-37-41)30-15-28-32(35-20-36-33(28)39-30)27-4-3-5-31(29(27)19-43)42-34(44)26-9-8-22(21-6-7-21)14-23(26)16-38-42/h3-5,8-9,14-18,20-21,25,43H,2,6-7,10-13,19H2,1H3,(H,35,36,39)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202112
PNG
(US9233983, D-4)
Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(ccc2c1=O)C1CC1
Show InChI InChI=1S/C37H35N5O2/c1-41-16-13-25(14-17-41)23-7-9-26(10-8-23)33-20-31-35(38-22-39-36(31)40-33)30-3-2-4-34(32(30)21-43)42-18-15-28-19-27(24-5-6-24)11-12-29(28)37(42)44/h2-4,7-12,15,18-20,22,24-25,43H,5-6,13-14,16-17,21H2,1H3,(H,38,39,40)
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ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM202108
PNG
(US9233983, C-5)
Show SMILES CN1CCOC(C1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
Show InChI InChI=1/C37H36N4O4/c1-40-15-17-45-35(21-40)25-9-7-24(8-10-25)32-20-30-28(13-14-38-36(30)39-32)27-3-2-4-33(31(27)22-42)41-16-18-44-34-19-26(23-5-6-23)11-12-29(34)37(41)43/h2-4,7-14,19-20,23,35,42H,5-6,15-18,21-22H2,1H3,(H,38,39)
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US Patent
n/an/a 3n/an/an/an/an/an/a



ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...


US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair
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