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Compile Data Set for Download or QSAR

Found 695 hits with Last Name = 'josey' and Initial = 'ja'   
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
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136465
PNG
(US8865726, 96)
Show SMILES Fc1ccc(cc1Cl)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 |r|
Show InChI InChI=1/C23H14ClF2N7O2/c24-16-7-13(2-4-17(16)25)19-10-35-23(34)33(19)20-5-6-32-22(30-20)15(9-29-32)12-1-3-14(18(26)8-12)21-27-11-28-31-21/h1-9,11,19H,10H2,(H,27,28,31)/t19-/s2
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n/an/a 0.510n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136478
PNG
(US8865726, 109)
Show SMILES Fc1ccc(cc1)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 |r|
Show InChI InChI=1/C23H15F2N7O2/c24-15-4-1-13(2-5-15)19-11-34-23(33)32(19)20-7-8-31-22(29-20)17(10-28-31)14-3-6-16(18(25)9-14)21-26-12-27-30-21/h1-10,12,19H,11H2,(H,26,27,30)/t19-/s2
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n/an/a 0.510n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136474
PNG
(US8865726, 105 | US8865726, 140)
Show SMILES Fc1ccc(nc1)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 |r|
Show InChI InChI=1/C22H14F2N8O2/c23-13-2-4-17(25-8-13)18-10-34-22(33)32(18)19-5-6-31-21(29-19)15(9-28-31)12-1-3-14(16(24)7-12)20-26-11-27-30-20/h1-9,11,18H,10H2,(H,26,27,30)/t18-/s2
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n/an/a 0.510n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136496
PNG
(US8865726, 127)
Show SMILES Cc1nc(ccc1F)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 |r|
Show InChI InChI=1/C23H16F2N8O2/c1-12-16(24)4-5-18(29-12)19-10-35-23(34)33(19)20-6-7-32-22(30-20)15(9-28-32)13-2-3-14(17(25)8-13)21-26-11-27-31-21/h2-9,11,19H,10H2,1H3,(H,26,27,31)/t19-/s2
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n/an/a 0.790n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136472
PNG
(US8865726, 103)
Show SMILES Fc1ccc(cc1F)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 |r|
Show InChI InChI=1/C23H14F3N7O2/c24-16-4-2-13(8-18(16)26)19-10-35-23(34)33(19)20-5-6-32-22(30-20)15(9-29-32)12-1-3-14(17(25)7-12)21-27-11-28-31-21/h1-9,11,19H,10H2,(H,27,28,31)/t19-/s2
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n/an/a 0.870n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50167609
PNG
((2R,5R)-1-[4-(2,4-Dichloro-benzyloxy)-benzenesulfo...)
Show SMILES CC1(C)C[C@@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C21H24Cl2N2O6S/c1-21(2)10-15(26)11-25(19(21)20(27)24-28)32(29,30)17-7-5-16(6-8-17)31-12-13-3-4-14(22)9-18(13)23/h3-9,15,19,26,28H,10-12H2,1-2H3,(H,24,27)/t15-,19+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136464
PNG
(US8865726, 95)
Show SMILES Fc1ccc(cc1Cl)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(cc3)-c3nc[nH]n3)c2n1 |r|
Show InChI InChI=1/C23H15ClFN7O2/c24-17-9-15(5-6-18(17)25)19-11-34-23(33)32(19)20-7-8-31-22(29-20)16(10-28-31)13-1-3-14(4-2-13)21-26-12-27-30-21/h1-10,12,19H,11H2,(H,26,27,30)/t19-/s2
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n/an/a 1.20n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abl


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50341824
PNG
((1S,2R,3R)-2-Methyl-1-[5-(4-methylpyrazol-1-yl)thi...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(C)cn1)C(O)=O |r|
Show InChI InChI=1S/C19H19N3O4S2/c1-12-10-20-22(11-12)15-8-9-16(27-15)28(25,26)21-19(18(23)24)13(2)17(19)14-6-4-3-5-7-14/h3-11,13,17,21H,1-2H3,(H,23,24)/t13-,17-,19+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50341816
PNG
((1S,2R,3R)-1-[5-(4-Methoxypyrazol-1-yl)thiophene-2...)
Show SMILES COc1cnn(c1)-c1ccc(s1)S(=O)(=O)N[C@]1([C@H](C)[C@@H]1c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C19H19N3O5S2/c1-12-17(13-6-4-3-5-7-13)19(12,18(23)24)21-29(25,26)16-9-8-15(28-16)22-11-14(27-2)10-20-22/h3-12,17,21H,1-2H3,(H,23,24)/t12-,17-,19+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136482
PNG
(US8865726, 113)
Show SMILES Fc1cccc(c1)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 |r|
Show InChI InChI=1/C23H15F2N7O2/c24-15-3-1-2-14(8-15)19-11-34-23(33)32(19)20-6-7-31-22(29-20)17(10-28-31)13-4-5-16(18(25)9-13)21-26-12-27-30-21/h1-10,12,19H,11H2,(H,26,27,30)/t19-/s2
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n/an/a 1.30n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TrkA


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50167609
PNG
((2R,5R)-1-[4-(2,4-Dichloro-benzyloxy)-benzenesulfo...)
Show SMILES CC1(C)C[C@@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C21H24Cl2N2O6S/c1-21(2)10-15(26)11-25(19(21)20(27)24-28)32(29,30)17-7-5-16(6-8-17)31-12-13-3-4-14(22)9-18(13)23/h3-9,15,19,26,28H,10-12H2,1-2H3,(H,24,27)/t15-,19+/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136385
PNG
(US8865726, 16)
Show SMILES CC(C)[C@H]1CN(CCCO)C(=O)N1c1ccn2ncc(-c3ccc(cc3)-c3ncc[nH]3)c2n1 |r|
Show InChI InChI=1/C24H27N7O2/c1-16(2)20-15-29(11-3-13-32)24(33)31(20)21-8-12-30-23(28-21)19(14-27-30)17-4-6-18(7-5-17)22-25-9-10-26-22/h4-10,12,14,16,20,32H,3,11,13,15H2,1-2H3,(H,25,26)/t20-/s2
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n/an/a 1.5n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136501
PNG
(US8865726, 132)
Show SMILES Fc1cc(ccc1-c1nc[nH]n1)-c1cnn2ccc(nc12)N1[C@H](COC1=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1/C23H15ClFN7O2/c24-15-3-1-2-14(8-15)19-11-34-23(33)32(19)20-6-7-31-22(29-20)17(10-28-31)13-4-5-16(18(25)9-13)21-26-12-27-30-21/h1-10,12,19H,11H2,(H,26,27,30)/t19-/s2
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n/an/a 1.60n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136431
PNG
(US8865726, 62)
Show SMILES Fc1cc(ccc1-c1nc[nH]n1)-c1cnn2ccc(nc12)N1[C@H](COC1=O)C1CCCCC1 |r|
Show InChI InChI=1/C23H22FN7O2/c24-18-10-15(6-7-16(18)21-25-13-26-29-21)17-11-27-30-9-8-20(28-22(17)30)31-19(12-33-23(31)32)14-4-2-1-3-5-14/h6-11,13-14,19H,1-5,12H2,(H,25,26,29)/t19-/s2
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n/an/a 1.60n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136441
PNG
(US8865726, 72)
Show SMILES CCC[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 |r|
Show InChI InChI=1/C20H18FN7O2/c1-2-3-13-10-30-20(29)28(13)17-6-7-27-19(25-17)15(9-24-27)12-4-5-14(16(21)8-12)18-22-11-23-26-18/h4-9,11,13H,2-3,10H2,1H3,(H,22,23,26)/t13-/s2
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n/an/a 1.60n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136384
PNG
(US8865726, 15)
Show SMILES CC(C)[C@H]1CN(CCO)C(=O)N1c1ccn2ncc(-c3ccc(cc3)-c3ncc[nH]3)c2n1 |r|
Show InChI InChI=1/C23H25N7O2/c1-15(2)19-14-28(11-12-31)23(32)30(19)20-7-10-29-22(27-20)18(13-26-29)16-3-5-17(6-4-16)21-24-8-9-25-21/h3-10,13,15,19,31H,11-12,14H2,1-2H3,(H,24,25)/t19-/s2
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n/an/a 1.70n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136487
PNG
(US8865726, 118)
Show SMILES COc1ccccc1[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 |r|
Show InChI InChI=1/C24H18FN7O3/c1-34-20-5-3-2-4-16(20)19-12-35-24(33)32(19)21-8-9-31-23(29-21)17(11-28-31)14-6-7-15(18(25)10-14)22-26-13-27-30-22/h2-11,13,19H,12H2,1H3,(H,26,27,30)/t19-/s2
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n/an/a 1.70n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136466
PNG
(US8865726, 97)
Show SMILES Fc1cc(ccc1-c1nc[nH]n1)-c1cnn2ccc(nc12)N1[C@H](COC1=O)C1CCCC1 |r|
Show InChI InChI=1/C22H20FN7O2/c23-17-9-14(5-6-15(17)20-24-12-25-28-20)16-10-26-29-8-7-19(27-21(16)29)30-18(11-32-22(30)31)13-3-1-2-4-13/h5-10,12-13,18H,1-4,11H2,(H,24,25,28)/t18-/s2
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n/an/a 1.70n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM282581
PNG
(4-Bromo-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-...)
Show SMILES OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Br)S(=O)(=O)C1(F)F
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n/an/a 2n/an/an/an/a7.5n/a



PELOTON THERAPEUTICS, INC.

US Patent




US Patent US9884843 (2018)


BindingDB Entry DOI: 10.7270/Q2HQ41Z0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136484
PNG
(US8865726, 115)
Show SMILES Fc1cc(ccc1-c1nc[nH]n1)-c1cnn2ccc(nc12)N1[C@H](COC1=O)c1ccc(Cl)cn1 |r|
Show InChI InChI=1/C22H14ClFN8O2/c23-13-2-4-17(25-8-13)18-10-34-22(33)32(18)19-5-6-31-21(29-19)15(9-28-31)12-1-3-14(16(24)7-12)20-26-11-27-30-20/h1-9,11,18H,10H2,(H,26,27,30)/t18-/s2
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n/an/a 2n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136375
PNG
(US8865726, 6)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 |r|
Show InChI InChI=1/C20H18FN7O2/c1-11(2)16-9-30-20(29)28(16)17-5-6-27-19(25-17)14(8-24-27)12-3-4-13(15(21)7-12)18-22-10-23-26-18/h3-8,10-11,16H,9H2,1-2H3,(H,22,23,26)/t16-/s2
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n/an/a 2n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136497
PNG
(US8865726, 128)
Show SMILES Cc1nc(ccc1F)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(cc3)-c3nc[nH]n3)c2n1 |r|
Show InChI InChI=1/C23H17FN8O2/c1-13-17(24)6-7-18(28-13)19-11-34-23(33)32(19)20-8-9-31-22(29-20)16(10-27-31)14-2-4-15(5-3-14)21-25-12-26-30-21/h2-10,12,19H,11H2,1H3,(H,25,26,30)/t19-/s2
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n/an/a 2n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136440
PNG
(US8865726, 71)
Show SMILES Fc1cc(ccc1-c1nc[nH]n1)-c1cnn2ccc(nc12)N1[C@H](COC1=O)c1ccccc1 |r|
Show InChI InChI=1/C23H16FN7O2/c24-18-10-15(6-7-16(18)21-25-13-26-29-21)17-11-27-30-9-8-20(28-22(17)30)31-19(12-33-23(31)32)14-4-2-1-3-5-14/h1-11,13,19H,12H2,(H,25,26,29)/t19-/s2
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n/an/a 2n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Flt3


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Fgr


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136449
PNG
(US8865726, 80)
Show SMILES Fc1cc(ccc1-c1nc[nH]n1)-c1cnn2ccc(nc12)N1[C@@H](CC2CC2)COC1=O |r|
Show InChI InChI=1/C21H18FN7O2/c22-17-8-13(3-4-15(17)19-23-11-24-27-19)16-9-25-28-6-5-18(26-20(16)28)29-14(7-12-1-2-12)10-31-21(29)30/h3-6,8-9,11-12,14H,1-2,7,10H2,(H,23,24,27)/t14-/s2
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n/an/a 2.30n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136479
PNG
(US8865726, 110)
Show SMILES Fc1ccc(cc1)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(cc3)-c3nc[nH]n3)c2n1 |r|
Show InChI InChI=1/C23H16FN7O2/c24-17-7-5-15(6-8-17)19-12-33-23(32)31(19)20-9-10-30-22(28-20)18(11-27-30)14-1-3-16(4-2-14)21-25-13-26-29-21/h1-11,13,19H,12H2,(H,25,26,29)/t19-/s2
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n/an/a 2.30n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136453
PNG
(US8865726, 84)
Show SMILES Fc1cc(ccc1-c1nc[nH]n1)-c1cnn2ccc(nc12)N1[C@H](COC1=O)c1cccnc1 |r|
Show InChI InChI=1/C22H15FN8O2/c23-17-8-13(3-4-15(17)20-25-12-26-29-20)16-10-27-30-7-5-19(28-21(16)30)31-18(11-33-22(31)32)14-2-1-6-24-9-14/h1-10,12,18H,11H2,(H,25,26,29)/t18-/s2
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n/an/a 2.40n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136370
PNG
(US8865726, 1)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(cc3)-c3ncc[nH]3)c2n1 |r|
Show InChI InChI=1/C21H20N6O2/c1-13(2)17-12-29-21(28)27(17)18-7-10-26-20(25-18)16(11-24-26)14-3-5-15(6-4-14)19-22-8-9-23-19/h3-11,13,17H,12H2,1-2H3,(H,22,23)/t17-/s2
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n/an/a 2.40n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136498
PNG
(US8865726, 129)
Show SMILES Cc1cc(ncc1F)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 |r|
Show InChI InChI=1/C23H16F2N8O2/c1-12-6-18(26-9-17(12)25)19-10-35-23(34)33(19)20-4-5-32-22(30-20)15(8-29-32)13-2-3-14(16(24)7-13)21-27-11-28-31-21/h2-9,11,19H,10H2,1H3,(H,27,28,31)/t19-/s2
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n/an/a 2.5n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136394
PNG
(US8865726, 25)
Show SMILES CC(C)[C@H]1CN(CCO)C(=O)N1c1ccn2ncc(-c3ccc(cc3)-c3nc[nH]n3)c2n1 |r|
Show InChI InChI=1/C22H24N8O2/c1-14(2)18-12-28(9-10-31)22(32)30(18)19-7-8-29-21(26-19)17(11-25-29)15-3-5-16(6-4-15)20-23-13-24-27-20/h3-8,11,13-14,18,31H,9-10,12H2,1-2H3,(H,23,24,27)/t18-/s2
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n/an/a 2.5n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136373
PNG
(US8865726, 4)
Show SMILES O=C1OC[C@@H](N1c1ccn2ncc(-c3ccc(cc3)-c3ncc[nH]3)c2n1)c1ccccc1 |r|
Show InChI InChI=1/C24H18N6O2/c31-24-30(20(15-32-24)17-4-2-1-3-5-17)21-10-13-29-23(28-21)19(14-27-29)16-6-8-18(9-7-16)22-25-11-12-26-22/h1-14,20H,15H2,(H,25,26)/t20-/s2
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n/an/a 2.5n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136481
PNG
(US8865726, 112)
Show SMILES Fc1cc(ccc1-c1nc[nH]n1)-c1cnn2ccc(nc12)N1[C@H](COC1=O)c1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1/C23H14F4N8O2/c24-16-7-12(1-3-14(16)20-29-11-30-33-20)15-9-31-34-6-5-19(32-21(15)34)35-18(10-37-22(35)36)17-4-2-13(8-28-17)23(25,26)27/h1-9,11,18H,10H2,(H,29,30,33)/t18-/s2
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n/an/a 2.60n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136494
PNG
(US8865726, 125)
Show SMILES COc1cccc(n1)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 |r|
Show InChI InChI=1/C23H17FN8O3/c1-34-20-4-2-3-17(28-20)18-11-35-23(33)32(18)19-7-8-31-22(29-19)15(10-27-31)13-5-6-14(16(24)9-13)21-25-12-26-30-21/h2-10,12,18H,11H2,1H3,(H,25,26,30)/t18-/s2
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n/an/a 2.70n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136483
PNG
(US8865726, 114)
Show SMILES Fc1ccc(nc1)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(cc3)-c3nc[nH]n3)c2n1 |r|
Show InChI InChI=1/C22H15FN8O2/c23-15-5-6-17(24-9-15)18-11-33-22(32)31(18)19-7-8-30-21(28-19)16(10-27-30)13-1-3-14(4-2-13)20-25-12-26-29-20/h1-10,12,18H,11H2,(H,25,26,29)/t18-/s2
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US Patent
n/an/a 2.70n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136389
PNG
(US8865726, 20)
Show SMILES CC(C)[C@H]1CN(C[C@H](O)CO)C(=O)N1c1ccn2ncc(-c3ccc(cc3)-c3ncc[nH]3)c2n1 |r|
Show InChI InChI=1/C24H27N7O3/c1-15(2)20-13-29(12-18(33)14-32)24(34)31(20)21-7-10-30-23(28-21)19(11-27-30)16-3-5-17(6-4-16)22-25-8-9-26-22/h3-11,15,18,20,32-33H,12-14H2,1-2H3,(H,25,26)/t18-,20+/s2
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n/an/a 2.70n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136425
PNG
(US8865726, 56)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(Cl)c3)c2n1 |r|
Show InChI InChI=1/C20H18ClN7O2/c1-11(2)16-9-30-20(29)28(16)17-5-6-27-19(25-17)14(8-24-27)12-3-4-13(15(21)7-12)18-22-10-23-26-18/h3-8,10-11,16H,9H2,1-2H3,(H,22,23,26)/t16-/s2
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n/an/a 2.80n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50341819
PNG
((1S,2R,3R)-1-(6-Chloro-4H-thieno[3,2-b]indole-2-su...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3cc(Cl)ccc3c2s1)C(O)=O |r|
Show InChI InChI=1S/C21H17ClN2O4S2/c1-11-18(12-5-3-2-4-6-12)21(11,20(25)26)24-30(27,28)17-10-16-19(29-17)14-8-7-13(22)9-15(14)23-16/h2-11,18,23-24H,1H3,(H,25,26)/t11-,18-,21+/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50104963
PNG
((2S,3R)-2-(cyclopropylmethylamino)-N1-hydroxy-N4-(...)
Show SMILES ONC(=O)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C24H29N3O5/c28-17-6-3-4-15(10-17)11-19(22(24(31)27-32)25-13-14-8-9-14)23(30)26-21-18-7-2-1-5-16(18)12-20(21)29/h1-7,10,14,19-22,25,28-29,32H,8-9,11-13H2,(H,26,30)(H,27,31)/t19-,20-,21+,22+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136456
PNG
(US8865726, 87)
Show SMILES Cc1cccc(n1)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 |r|
Show InChI InChI=1/C23H17FN8O2/c1-13-3-2-4-18(28-13)19-11-34-23(33)32(19)20-7-8-31-22(29-20)16(10-27-31)14-5-6-15(17(24)9-14)21-25-12-26-30-21/h2-10,12,19H,11H2,1H3,(H,25,26,30)/t19-/s2
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n/an/a 3.40n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50311088
PNG
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r|
Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50311088
PNG
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r|
Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136430
PNG
(US8865726, 61)
Show SMILES O=C1OC[C@H](C2CCCCC2)N1c1ccn2ncc(-c3ccc(cc3)-c3nc[nH]n3)c2n1 |r|
Show InChI InChI=1/C23H23N7O2/c31-23-30(19(13-32-23)16-4-2-1-3-5-16)20-10-11-29-22(27-20)18(12-26-29)15-6-8-17(9-7-15)21-24-14-25-28-21/h6-12,14,16,19H,1-5,13H2,(H,24,25,28)/t19-/s2
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n/an/a 3.5n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136474
PNG
(US8865726, 105 | US8865726, 140)
Show SMILES Fc1ccc(nc1)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 |r|
Show InChI InChI=1/C22H14F2N8O2/c23-13-2-4-17(25-8-13)18-10-34-22(33)32(18)19-5-6-31-21(29-19)15(9-28-31)12-1-3-14(16(24)7-12)20-26-11-27-30-20/h1-9,11,18H,10H2,(H,26,27,30)/t18-/s2
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n/an/a 3.5n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BTK


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136499
PNG
(US8865726, 130)
Show SMILES Cc1cc(ncc1F)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(cc3)-c3nc[nH]n3)c2n1 |r|
Show InChI InChI=1/C23H17FN8O2/c1-13-8-18(25-10-17(13)24)19-11-34-23(33)32(19)20-6-7-31-22(29-20)16(9-28-31)14-2-4-15(5-3-14)21-26-12-27-30-21/h2-10,12,19H,11H2,1H3,(H,26,27,30)/t19-/s2
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n/an/a 4n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50311088
PNG
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r|
Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM136433
PNG
(US8865726, 64)
Show SMILES O=C1OC[C@@H](N1c1ccn2ncc(-c3ccc(cc3)-c3nc[nH]n3)c2n1)c1ccccc1 |r|
Show InChI InChI=1/C23H17N7O2/c31-23-30(19(13-32-23)16-4-2-1-3-5-16)20-10-11-29-22(27-20)18(12-26-29)15-6-8-17(9-7-15)21-24-14-25-28-21/h1-12,14,19H,13H2,(H,24,25,28)/t19-/s2
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n/an/a 4.20n/an/an/an/a7.522



Array BioPharma Inc.

US Patent


Assay Description
The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...


US Patent US8865726 (2014)


BindingDB Entry DOI: 10.7270/Q2V69H93
More data for this
Ligand-Target Pair
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