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Compile Data Set for Download or QSAR

Found 143 hits with Last Name = 'williams' and Initial = 'te'   
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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026695
PNG
(CHEMBL3335372)
Show SMILES CCc1cccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)c1
Show InChI InChI=1S/C23H23N5O2/c1-4-16-6-5-7-17(12-16)26-23-27-20-13-18(8-9-21(20)28(23)3)30-19-10-11-24-22(14-19)25-15(2)29/h5-14H,4H2,1-3H3,(H,26,27)(H,24,25,29)
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n/an/a<0.400n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026685
PNG
(CHEMBL3335373)
Show SMILES CC(C)c1cccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)c1
Show InChI InChI=1S/C24H25N5O2/c1-15(2)17-6-5-7-18(12-17)27-24-28-21-13-19(8-9-22(21)29(24)4)31-20-10-11-25-23(14-20)26-16(3)30/h5-15H,1-4H3,(H,27,28)(H,25,26,30)
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n/an/a<0.400n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026678
PNG
(CHEMBL3335374)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(OC(F)(F)F)c4)nc3c2)ccn1
Show InChI InChI=1S/C22H18F3N5O3/c1-13(31)27-20-12-16(8-9-26-20)32-15-6-7-19-18(11-15)29-21(30(19)2)28-14-4-3-5-17(10-14)33-22(23,24)25/h3-12H,1-2H3,(H,28,29)(H,26,27,31)
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM31088
PNG
(1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-y...)
Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
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n/an/a 0.5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards Coagulation factor X was determined using chromogenic substrate, MeO-COD-CHG-Gly-Arg-pNA


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50131822
PNG
(CHEMBL3632719)
Show SMILES Cn1c(Nc2cccc(c2)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C27H25F3N6O/c1-26(2,3)16-6-5-7-17(12-16)33-25-34-20-13-18(8-9-22(20)36(25)4)37-19-10-11-31-21(14-19)24-32-15-23(35-24)27(28,29)30/h5-15H,1-4H3,(H,32,35)(H,33,34)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Histamine H1 receptor


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026677
PNG
(CHEMBL3335377)
Show SMILES CCc1ccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)cc1
Show InChI InChI=1S/C23H23N5O2/c1-4-16-5-7-17(8-6-16)26-23-27-20-13-18(9-10-21(20)28(23)3)30-19-11-12-24-22(14-19)25-15(2)29/h5-14H,4H2,1-3H3,(H,26,27)(H,24,25,29)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026692
PNG
(CHEMBL3335381)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cc(ccc4F)C(F)(F)F)nc3c2)ccn1
Show InChI InChI=1S/C22H17F4N5O2/c1-12(32)28-20-11-15(7-8-27-20)33-14-4-6-19-18(10-14)30-21(31(19)2)29-17-9-13(22(24,25)26)3-5-16(17)23/h3-11H,1-2H3,(H,29,30)(H,27,28,32)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026683
PNG
(CHEMBL3335379)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4ccc(OC(F)(F)F)cc4)nc3c2)ccn1
Show InChI InChI=1S/C22H18F3N5O3/c1-13(31)27-20-12-17(9-10-26-20)32-16-7-8-19-18(11-16)29-21(30(19)2)28-14-3-5-15(6-4-14)33-22(23,24)25/h3-12H,1-2H3,(H,28,29)(H,26,27,31)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50026679
PNG
(CHEMBL3335371)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Histamine H1 receptor


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026680
PNG
(CHEMBL3335385)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cc(ccc4F)C(F)(F)F)nc3c2)ccn1
Show InChI InChI=1S/C29H30F4N6O2/c1-17(2)39-12-9-18(10-13-39)27(40)37-26-16-21(8-11-34-26)41-20-5-7-25-24(15-20)36-28(38(25)3)35-23-14-19(29(31,32)33)4-6-22(23)30/h4-8,11,14-18H,9-10,12-13H2,1-3H3,(H,35,36)(H,34,37,40)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50439721
PNG
(CHEMBL2418953)
Show SMILES CC(=O)Nc1cn2nc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N6O/c1-7(24)20-11-6-23-12(21-11)3-2-10(22-23)8-4-9(14(15,16)17)13(18)19-5-8/h2-6H,1H3,(H2,18,19)(H,20,24)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay


Bioorg Med Chem Lett 26: 742-6 (2016)


BindingDB Entry DOI: 10.7270/Q2XP76SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50140266
PNG
(CHEMBL3753366)
Show SMILES CC(C)Oc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1
Show InChI InChI=1S/C16H18N6O2/c1-9(2)24-16-15(17)18-6-12(20-16)11-4-5-14-21-13(19-10(3)23)8-22(14)7-11/h4-9H,1-3H3,(H2,17,18)(H,19,23)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay


Bioorg Med Chem Lett 26: 742-6 (2016)


BindingDB Entry DOI: 10.7270/Q2XP76SB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (Human))
BDBM50026679
PNG
(CHEMBL3335371)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity towards acetylcholine esterase (AChE)


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50026679
PNG
(CHEMBL3335371)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotin-linked K-ras decapeptide (CVIM) by bovine farnesyltransferase


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50026679
PNG
(CHEMBL3335371)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotin-linked K-ras decapeptide (CVIM) by bovine farnesyltransferase


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50140265
PNG
(CHEMBL3753450)
Show SMILES CC(Oc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1)C(F)(F)F
Show InChI InChI=1/C16H15F3N6O2/c1-8(16(17,18)19)27-15-14(20)21-5-11(23-15)10-3-4-13-24-12(22-9(2)26)7-25(13)6-10/h3-8H,1-2H3,(H2,20,21)(H,22,26)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay


Bioorg Med Chem Lett 26: 742-6 (2016)


BindingDB Entry DOI: 10.7270/Q2XP76SB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026679
PNG
(CHEMBL3335371)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31)
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n/an/a 3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Reduced farnesylation of H-ras transformed NIH3T3 cells


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50026679
PNG
(CHEMBL3335371)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity towards acetylcholine esterase (AChE)


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50026679
PNG
(CHEMBL3335371)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Kappa opioid receptor


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026694
PNG
(CHEMBL3335375)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(F)(F)F)nc3c2)ccn1
Show InChI InChI=1S/C22H18F3N5O2/c1-13(31)27-20-12-17(8-9-26-20)32-16-6-7-19-18(11-16)29-21(30(19)2)28-15-5-3-4-14(10-15)22(23,24)25/h3-12H,1-2H3,(H,28,29)(H,26,27,31)
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n/an/a 3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026679
PNG
(CHEMBL3335371)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50140267
PNG
(CHEMBL3752019)
Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(OCC(F)(F)F)n1
Show InChI InChI=1S/C15H13F3N6O2/c1-8(25)21-11-6-24-5-9(2-3-12(24)23-11)10-4-20-13(19)14(22-10)26-7-15(16,17)18/h2-6H,7H2,1H3,(H2,19,20)(H,21,25)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay


Bioorg Med Chem Lett 26: 742-6 (2016)


BindingDB Entry DOI: 10.7270/Q2XP76SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50140270
PNG
(CHEMBL3752503)
Show SMILES COc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1
Show InChI InChI=1S/C14H14N6O2/c1-8(21)17-11-7-20-6-9(3-4-12(20)19-11)10-5-16-13(15)14(18-10)22-2/h3-7H,1-2H3,(H2,15,16)(H,17,21)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay


Bioorg Med Chem Lett 26: 742-6 (2016)


BindingDB Entry DOI: 10.7270/Q2XP76SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50140269
PNG
(CHEMBL3752653)
Show SMILES CCOc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1
Show InChI InChI=1S/C15H16N6O2/c1-3-23-15-14(16)17-6-11(19-15)10-4-5-13-20-12(18-9(2)22)8-21(13)7-10/h4-8H,3H2,1-2H3,(H2,16,17)(H,18,22)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay


Bioorg Med Chem Lett 26: 742-6 (2016)


BindingDB Entry DOI: 10.7270/Q2XP76SB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026693
PNG
(CHEMBL3335378)
Show SMILES CC(C)c1ccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)cc1
Show InChI InChI=1S/C24H25N5O2/c1-15(2)17-5-7-18(8-6-17)27-24-28-21-13-19(9-10-22(21)29(24)4)31-20-11-12-25-23(14-20)26-16(3)30/h5-15H,1-4H3,(H,27,28)(H,25,26,30)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026676
PNG
(CHEMBL3335380)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4ccc(cc4)C(F)(F)F)nc3c2)ccn1
Show InChI InChI=1S/C22H18F3N5O2/c1-13(31)27-20-12-17(9-10-26-20)32-16-7-8-19-18(11-16)29-21(30(19)2)28-15-5-3-14(4-6-15)22(23,24)25/h3-12H,1-2H3,(H,28,29)(H,26,27,31)
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50439711
PNG
(CHEMBL2418954)
Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay


Bioorg Med Chem Lett 26: 742-6 (2016)


BindingDB Entry DOI: 10.7270/Q2XP76SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50140273
PNG
(CHEMBL3752760)
Show SMILES COc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2n1
Show InChI InChI=1S/C14H14N6O2/c1-8(21)17-12-7-20-13(18-12)4-3-10(19-20)9-5-11(22-2)14(15)16-6-9/h3-7H,1-2H3,(H2,15,16)(H,17,21)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay


Bioorg Med Chem Lett 26: 742-6 (2016)


BindingDB Entry DOI: 10.7270/Q2XP76SB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM26028
PNG
(4-({2-[(3-tert-butylphenyl)(methyl)amino]-1H-1,3-b...)
Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-25(2,3)16-7-6-8-17(13-16)28-24-29-20-14-18(9-10-22(20)30(24)5)32-19-11-12-27-21(15-19)23(31)26-4/h6-15H,1-5H3,(H,26,31)(H,28,29)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotin-linked K-ras decapeptide (CVIM) by bovine farnesyltransferase


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (Human))
BDBM26028
PNG
(4-({2-[(3-tert-butylphenyl)(methyl)amino]-1H-1,3-b...)
Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-25(2,3)16-7-6-8-17(13-16)28-24-29-20-14-18(9-10-22(20)30(24)5)32-19-11-12-27-21(15-19)23(31)26-4/h6-15H,1-5H3,(H,26,31)(H,28,29)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity towards acetylcholine esterase (AChE)


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM31088
PNG
(1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-y...)
Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Kappa opioid receptor


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026674
PNG
(CHEMBL3335386)
Show SMILES CC(C)N1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1
Show InChI InChI=1S/C29H31F4N7O2/c1-18(2)40-12-10-39(11-13-40)17-27(41)37-26-16-21(8-9-34-26)42-20-5-7-25-24(15-20)36-28(38(25)3)35-23-14-19(29(31,32)33)4-6-22(23)30/h4-9,14-16,18H,10-13,17H2,1-3H3,(H,35,36)(H,34,37,41)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026673
PNG
(CHEMBL3335387)
Show SMILES CCN1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1
Show InChI InChI=1S/C28H29F4N7O2/c1-3-38-10-12-39(13-11-38)17-26(40)36-25-16-20(8-9-33-25)41-19-5-7-24-23(15-19)35-27(37(24)2)34-22-14-18(28(30,31)32)4-6-21(22)29/h4-9,14-16H,3,10-13,17H2,1-2H3,(H,34,35)(H,33,36,40)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50140271
PNG
(CHEMBL3751961)
Show SMILES COCCOc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2n1
Show InChI InChI=1S/C16H18N6O3/c1-10(23)19-14-9-22-15(20-14)4-3-12(21-22)11-7-13(16(17)18-8-11)25-6-5-24-2/h3-4,7-9H,5-6H2,1-2H3,(H2,17,18)(H,19,23)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay


Bioorg Med Chem Lett 26: 742-6 (2016)


BindingDB Entry DOI: 10.7270/Q2XP76SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50140265
PNG
(CHEMBL3753450)
Show SMILES CC(Oc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1)C(F)(F)F
Show InChI InChI=1/C16H15F3N6O2/c1-8(16(17,18)19)27-15-14(20)21-5-11(23-15)10-3-4-13-24-12(22-9(2)26)7-25(13)6-10/h3-8H,1-2H3,(H2,20,21)(H,22,26)
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay


Bioorg Med Chem Lett 26: 742-6 (2016)


BindingDB Entry DOI: 10.7270/Q2XP76SB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026681
PNG
(CHEMBL3335382)
Show SMILES Cn1c(Nc2cccc(c2)C(C)(C)C)nc2cc(Oc3ccnc(NC(=O)C4CCNCC4)c3)ccc12
Show InChI InChI=1S/C29H34N6O2/c1-29(2,3)20-6-5-7-21(16-20)32-28-33-24-17-22(8-9-25(24)35(28)4)37-23-12-15-31-26(18-23)34-27(36)19-10-13-30-14-11-19/h5-9,12,15-19,30H,10-11,13-14H2,1-4H3,(H,32,33)(H,31,34,36)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50140268
PNG
(CHEMBL3753085)
Show SMILES COCCOc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1
Show InChI InChI=1S/C16H18N6O3/c1-10(23)19-13-9-22-8-11(3-4-14(22)21-13)12-7-18-15(17)16(20-12)25-6-5-24-2/h3-4,7-9H,5-6H2,1-2H3,(H2,17,18)(H,19,23)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay


Bioorg Med Chem Lett 26: 742-6 (2016)


BindingDB Entry DOI: 10.7270/Q2XP76SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50140265
PNG
(CHEMBL3753450)
Show SMILES CC(Oc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1)C(F)(F)F
Show InChI InChI=1/C16H15F3N6O2/c1-8(16(17,18)19)27-15-14(20)21-5-11(23-15)10-3-4-13-24-12(22-9(2)26)7-25(13)6-10/h3-8H,1-2H3,(H2,20,21)(H,22,26)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay


Bioorg Med Chem Lett 26: 742-6 (2016)


BindingDB Entry DOI: 10.7270/Q2XP76SB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026684
PNG
(CHEMBL3335376)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4ccc(cc4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(12-13-26-23)32-19-10-11-22-21(14-19)29-24(30(22)5)28-18-8-6-17(7-9-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31)
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (Human))
BDBM50026673
PNG
(CHEMBL3335387)
Show SMILES CCN1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1
Show InChI InChI=1S/C28H29F4N7O2/c1-3-38-10-12-39(13-11-38)17-26(40)36-25-16-20(8-9-33-25)41-19-5-7-24-23(15-19)35-27(37(24)2)34-22-14-18(28(30,31)32)4-6-21(22)29/h4-9,14-16H,3,10-13,17H2,1-2H3,(H,34,35)(H,33,36,40)
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n/an/a<10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of VEGFR (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50026673
PNG
(CHEMBL3335387)
Show SMILES CCN1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1
Show InChI InChI=1S/C28H29F4N7O2/c1-3-38-10-12-39(13-11-38)17-26(40)36-25-16-20(8-9-33-25)41-19-5-7-24-23(15-19)35-27(37(24)2)34-22-14-18(28(30,31)32)4-6-21(22)29/h4-9,14-16H,3,10-13,17H2,1-2H3,(H,34,35)(H,33,36,40)
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n/an/a<10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFR (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50026673
PNG
(CHEMBL3335387)
Show SMILES CCN1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1
Show InChI InChI=1S/C28H29F4N7O2/c1-3-38-10-12-39(13-11-38)17-26(40)36-25-16-20(8-9-33-25)41-19-5-7-24-23(15-19)35-27(37(24)2)34-22-14-18(28(30,31)32)4-6-21(22)29/h4-9,14-16H,3,10-13,17H2,1-2H3,(H,34,35)(H,33,36,40)
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n/an/a<10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CSF1R kinase (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50026673
PNG
(CHEMBL3335387)
Show SMILES CCN1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1
Show InChI InChI=1S/C28H29F4N7O2/c1-3-38-10-12-39(13-11-38)17-26(40)36-25-16-20(8-9-33-25)41-19-5-7-24-23(15-19)35-27(37(24)2)34-22-14-18(28(30,31)32)4-6-21(22)29/h4-9,14-16H,3,10-13,17H2,1-2H3,(H,34,35)(H,33,36,40)
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n/an/a<10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026675
PNG
(CHEMBL3335383)
Show SMILES CN1CCC(CC1)C(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C30H36N6O2/c1-30(2,3)21-7-6-8-22(17-21)32-29-33-25-18-23(9-10-26(25)36(29)5)38-24-11-14-31-27(19-24)34-28(37)20-12-15-35(4)16-13-20/h6-11,14,17-20H,12-13,15-16H2,1-5H3,(H,32,33)(H,31,34,37)
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50031728
PNG
(CHEMBL3360312)
Show SMILES COc1cncc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r|
Show InChI InChI=1/C19H17FN6O2/c1-9-17-14(26-19(21)23-9)6-13(25-18(17)27)11-4-3-10(20)5-12(11)15-7-22-8-16(24-15)28-2/h3-5,7-8,13H,6H2,1-2H3,(H,25,27)(H2,21,23,26)/t13-/s2
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry


J Med Chem 57: 9124-9 (2014)


Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM26028
PNG
(4-({2-[(3-tert-butylphenyl)(methyl)amino]-1H-1,3-b...)
Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-25(2,3)16-7-6-8-17(13-16)28-24-29-20-14-18(9-10-22(20)30(24)5)32-19-11-12-27-21(15-19)23(31)26-4/h6-15H,1-5H3,(H,26,31)(H,28,29)
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Histamine H1 receptor


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM26028
PNG
(4-({2-[(3-tert-butylphenyl)(methyl)amino]-1H-1,3-b...)
Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-25(2,3)16-7-6-8-17(13-16)28-24-29-20-14-18(9-10-22(20)30(24)5)32-19-11-12-27-21(15-19)23(31)26-4/h6-15H,1-5H3,(H,26,31)(H,28,29)
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity towards acetylcholine esterase (AChE)


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50140272
PNG
(CHEMBL3754572)
Show SMILES CCOc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2n1
Show InChI InChI=1S/C15H16N6O2/c1-3-23-12-6-10(7-17-15(12)16)11-4-5-14-19-13(18-9(2)22)8-21(14)20-11/h4-8H,3H2,1-2H3,(H2,16,17)(H,18,22)
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay


Bioorg Med Chem Lett 26: 742-6 (2016)


BindingDB Entry DOI: 10.7270/Q2XP76SB
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50031734
PNG
(CHEMBL3360306)
Show SMILES COc1cccc(n1)-c1cc(C)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r|
Show InChI InChI=1/C21H21N5O2/c1-11-7-8-13(14(9-11)15-5-4-6-18(24-15)28-3)16-10-17-19(20(27)25-16)12(2)23-21(22)26-17/h4-9,16H,10H2,1-3H3,(H,25,27)(H2,22,23,26)/t16-/s2
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n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry


J Med Chem 57: 9124-9 (2014)


Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50031735
PNG
(CHEMBL3360305)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r|
Show InChI InChI=1/C20H18FN5O2/c1-10-18-16(26-20(22)23-10)9-15(25-19(18)27)12-7-6-11(21)8-13(12)14-4-3-5-17(24-14)28-2/h3-8,15H,9H2,1-2H3,(H,25,27)(H2,22,23,26)/t15-/s2
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry


J Med Chem 57: 9124-9 (2014)


Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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