BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 482 hits with Last Name = 'sengupta' and Initial = 's'   
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50300690
PNG
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a<0.510n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using EAIYAAPFAKKK substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay

J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))		BDBM50413752
PNG
(CHEMBL2012519 | L-783277)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,14,20,22H,3-8H2,1-2H3/t11-,14?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.730n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay

J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))		BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 0.940n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human ALK6 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay

J Med Chem 60: 1495-1508 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01679
BindingDB Entry DOI: 10.7270/Q2TQ63S4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM148383
PNG
(US8962637, 108)
Show SMILES Cc1ccc(NC(=O)CC2CCCC2)cc1N1CCc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C1
Show InChI InChI=1S/C33H42N6O2/c1-24-8-9-28(35-32(40)20-25-6-2-3-7-25)21-31(24)39-17-14-30-26(23-39)22-34-33(37-30)36-27-10-12-29(13-11-27)41-19-18-38-15-4-5-16-38/h8-13,21-22,25H,2-7,14-20,23H2,1H3,(H,35,40)(H,34,36,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...

US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM148382
PNG
(US8962637, 107)
Show SMILES Cc1ccc(NC(=O)N2CCCCC2)cc1N1CCc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C1
Show InChI InChI=1S/C32H41N7O2/c1-24-7-8-27(35-32(40)38-16-3-2-4-17-38)21-30(24)39-18-13-29-25(23-39)22-33-31(36-29)34-26-9-11-28(12-10-26)41-20-19-37-14-5-6-15-37/h7-12,21-22H,2-6,13-20,23H2,1H3,(H,35,40)(H,33,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...

US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM148373
PNG
(US8962637, 98)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(cc3)C(=O)NCCO)ncc2C1
Show InChI InChI=1S/C31H29F3N6O3/c1-19-5-8-25(37-29(43)21-3-2-4-23(15-21)31(32,33)34)16-27(19)40-13-11-26-22(18-40)17-36-30(39-26)38-24-9-6-20(7-10-24)28(42)35-12-14-41/h2-10,15-17,41H,11-14,18H2,1H3,(H,35,42)(H,37,43)(H,36,38,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...

US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM158429
PNG
(US9029399, 2A | US9339501, 2A)
Show SMILES FC(F)(F)c1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C17H15F3N4O/c18-17(19,20)15-9-12(3-6-22-15)23-7-8-24(16(23)25)14-10-21-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.10n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...

US Patent US9339501 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KG2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))		BDBM50413752
PNG
(CHEMBL2012519 | L-783277)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,14,20,22H,3-8H2,1-2H3/t11-,14?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human FLT4 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by scintillation counting method

J Med Chem 60: 1495-1508 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01679
BindingDB Entry DOI: 10.7270/Q2TQ63S4
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM158429
PNG
(US9029399, 2A | US9339501, 2A)
Show SMILES FC(F)(F)c1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C17H15F3N4O/c18-17(19,20)15-9-12(3-6-22-15)23-7-8-24(16(23)25)14-10-21-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.10n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...

US Patent US9029399 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JFD
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))		BDBM50509140
PNG
(CHEMBL4453304)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(c1)[C@@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:23|
Show InChI InChI=1S/C22H22O7/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h3-4,6-12,20-21,24-26H,5H2,1-2H3/b8-3-/t12-,20+,21+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay

J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))		BDBM50509146
PNG
(CHEMBL4303275)
Show SMILES CCn1c(N)c(C(=O)NC)c(=O)c2ccc(nc12)C#C[C@@](C)(O)COC |r|
Show InChI InChI=1S/C18H22N4O4/c1-5-22-15(19)13(17(24)20-3)14(23)12-7-6-11(21-16(12)22)8-9-18(2,25)10-26-4/h6-7,25H,5,10,19H2,1-4H3,(H,20,24)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay

J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50413752
PNG
(CHEMBL2012519 | L-783277)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,14,20,22H,3-8H2,1-2H3/t11-,14?/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using EAIYAAPFAKKK peptide as substrate in presence of [gamma-33P]-ATP by scintillation counting method

J Med Chem 60: 1495-1508 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01679
BindingDB Entry DOI: 10.7270/Q2TQ63S4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50413752
PNG
(CHEMBL2012519 | L-783277)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,14,20,22H,3-8H2,1-2H3/t11-,14?/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using EAIYAAPFAKKK substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay

J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM158474
PNG
(US9029399, 46A | US9339501, 46A)
Show SMILES Clc1cc(cc(Cl)n1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C16H14Cl2N4O/c17-14-7-11(8-15(18)20-14)21-5-6-22(16(21)23)13-9-19-4-3-12(13)10-1-2-10/h3-4,7-10H,1-2,5-6H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.90n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...

US Patent US9029399 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JFD
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM158474
PNG
(US9029399, 46A | US9339501, 46A)
Show SMILES Clc1cc(cc(Cl)n1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C16H14Cl2N4O/c17-14-7-11(8-15(18)20-14)21-5-6-22(16(21)23)13-9-19-4-3-12(13)10-1-2-10/h3-4,7-10H,1-2,5-6H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.90n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...

US Patent US9339501 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KG2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM132104
PNG
(USRE45173, 14A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H17N3O/c1-14-8-9-20-13-18(14)22-11-10-21(19(22)23)17-7-6-15-4-2-3-5-16(15)12-17/h2-9,12-13H,10-11H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...

US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM132137
PNG
(USRE45173, 70A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O/c1-11-5-6-20-10-14(11)22-8-7-21(15(22)23)13-4-2-3-12(9-13)16(17,18)19/h2-6,9-10H,7-8H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...

US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM148297
PNG
(US8962637, 17)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3CN(CCc3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cc1
Show InChI InChI=1S/C34H34F3N7O2/c1-22-6-9-28(39-31(45)24-4-3-5-26(18-24)34(35,36)37)19-30(22)44-13-12-29-25(21-44)20-38-33(41-29)40-27-10-7-23(8-11-27)32(46)43-16-14-42(2)15-17-43/h3-11,18-20H,12-17,21H2,1-2H3,(H,39,45)(H,38,40,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...

US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM148424
PNG
(US8962637, 155)
Show SMILES CC(CC(=O)Nc1ccc(C)c(c1)N1CCc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C1)C(F)(F)F
Show InChI InChI=1S/C31H37F3N6O2/c1-21-5-6-25(36-29(41)17-22(2)31(32,33)34)18-28(21)40-14-11-27-23(20-40)19-35-30(38-27)37-24-7-9-26(10-8-24)42-16-15-39-12-3-4-13-39/h5-10,18-19,22H,3-4,11-17,20H2,1-2H3,(H,36,41)(H,35,37,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...

US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM148381
PNG
(US8962637, 106)
Show SMILES Cc1ccc(NC(=O)c2ccc(s2)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C1
Show InChI InChI=1S/C32H33F3N6O2S/c1-21-4-5-24(37-30(42)28-10-11-29(44-28)32(33,34)35)18-27(21)41-15-12-26-22(20-41)19-36-31(39-26)38-23-6-8-25(9-7-23)43-17-16-40-13-2-3-14-40/h4-11,18-19H,2-3,12-17,20H2,1H3,(H,37,42)(H,36,38,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...

US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM148369
PNG
(US8962637, 186 | US8962637, 94)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1N1CCc2nc(Nc3cncnc3)ncc2C1
Show InChI InChI=1S/C26H22F3N7O/c1-16-5-6-20(33-24(37)17-3-2-4-19(9-17)26(27,28)29)10-23(16)36-8-7-22-18(14-36)11-32-25(35-22)34-21-12-30-15-31-13-21/h2-6,9-13,15H,7-8,14H2,1H3,(H,33,37)(H,32,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...

US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM148367
PNG
(US8962637, 92)
Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3CN(CCc3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cc1
Show InChI InChI=1S/C35H36F3N7O2/c1-22-6-9-29(41-33(47)24-4-3-5-26(18-24)35(36,37)38)19-31(22)45-17-14-30-25(21-45)20-39-34(43-30)42-27-10-7-23(8-11-27)32(46)40-28-12-15-44(2)16-13-28/h3-11,18-20,28H,12-17,21H2,1-2H3,(H,40,46)(H,41,47)(H,39,42,43)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...

US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))		BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human ALK3 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay

J Med Chem 60: 1495-1508 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01679
BindingDB Entry DOI: 10.7270/Q2TQ63S4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM148419
PNG
(US8962637, 148)
Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3CN(CCc3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1
Show InChI InChI=1S/C34H35F3N8O2/c1-21-6-7-26(41-31(46)22-4-3-5-24(16-22)34(35,36)37)17-30(21)45-15-12-28-23(20-45)18-39-33(43-28)42-27-8-9-29(38-19-27)32(47)40-25-10-13-44(2)14-11-25/h3-9,16-19,25H,10-15,20H2,1-2H3,(H,40,47)(H,41,46)(H,39,42,43)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.40n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...

US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM132182
PNG
(USRE45173, 121A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C16H15N5O/c1-11-4-5-17-10-15(11)21-7-6-20(16(21)22)13-3-2-12-9-18-19-14(12)8-13/h2-5,8-10H,6-7H2,1H3,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...

US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM158428
PNG
(US9029399, 1A | US9339501, 1A)
Show SMILES Clc1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C16H15ClN4O/c17-15-9-12(3-6-19-15)20-7-8-21(16(20)22)14-10-18-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.70n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...

US Patent US9029399 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JFD
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM132216
PNG
(USRE45173, 155A | USRE45173, 192A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(s1)C(F)(F)F
Show InChI InChI=1S/C14H12F3N3OS/c1-9-4-5-18-8-10(9)19-6-7-20(13(19)21)12-3-2-11(22-12)14(15,16)17/h2-5,8H,6-7H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.70n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...

US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM132216
PNG
(USRE45173, 155A | USRE45173, 192A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(s1)C(F)(F)F
Show InChI InChI=1S/C14H12F3N3OS/c1-9-4-5-18-8-10(9)19-6-7-20(13(19)21)12-3-2-11(22-12)14(15,16)17/h2-5,8H,6-7H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.70n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...

US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM158445
PNG
(US9029399, 19A | US9339501, 19A)
Show SMILES Cc1coc2ccc(cc12)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C20H19N3O2/c1-13-12-25-19-5-4-15(10-17(13)19)22-8-9-23(20(22)24)18-11-21-7-6-16(18)14-2-3-14/h4-7,10-12,14H,2-3,8-9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.70n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...

US Patent US9339501 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KG2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM158445
PNG
(US9029399, 19A | US9339501, 19A)
Show SMILES Cc1coc2ccc(cc12)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C20H19N3O2/c1-13-12-25-19-5-4-15(10-17(13)19)22-8-9-23(20(22)24)18-11-21-7-6-16(18)14-2-3-14/h4-7,10-12,14H,2-3,8-9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.70n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...

US Patent US9029399 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JFD
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM158428
PNG
(US9029399, 1A | US9339501, 1A)
Show SMILES Clc1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C16H15ClN4O/c17-15-9-12(3-6-19-15)20-7-8-21(16(20)22)14-10-18-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.70n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...

US Patent US9339501 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KG2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50413752
PNG
(CHEMBL2012519 | L-783277)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,14,20,22H,3-8H2,1-2H3/t11-,14?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay

J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM158460
PNG
(US9029399, 32A-II | US9339501, 32A-II)
Show SMILES FC(F)(F)c1cc(ccn1)N1[C@H]2C[C@H]2N(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C18H15F3N4O/c19-18(20,21)16-7-11(3-6-23-16)24-13-8-14(13)25(17(24)26)15-9-22-5-4-12(15)10-1-2-10/h3-7,9-10,13-14H,1-2,8H2/t13-,14+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...

US Patent US9339501 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KG2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM158460
PNG
(US9029399, 32A-II | US9339501, 32A-II)
Show SMILES FC(F)(F)c1cc(ccn1)N1[C@H]2C[C@H]2N(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C18H15F3N4O/c19-18(20,21)16-7-11(3-6-23-16)24-13-8-14(13)25(17(24)26)15-9-22-5-4-12(15)10-1-2-10/h3-7,9-10,13-14H,1-2,8H2/t13-,14+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...

US Patent US9029399 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM148406
PNG
(US8962637, 132)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3CN(CCc3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1
Show InChI InChI=1S/C33H33F3N8O2/c1-21-6-7-25(39-30(45)22-4-3-5-24(16-22)33(34,35)36)17-29(21)44-11-10-27-23(20-44)18-38-32(41-27)40-26-8-9-28(37-19-26)31(46)43-14-12-42(2)13-15-43/h3-9,16-19H,10-15,20H2,1-2H3,(H,39,45)(H,38,40,41)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...

US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM148297
PNG
(US8962637, 17)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3CN(CCc3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cc1
Show InChI InChI=1S/C34H34F3N7O2/c1-22-6-9-28(39-31(45)24-4-3-5-26(18-24)34(35,36)37)19-30(22)44-13-12-29-25(21-44)20-38-33(41-29)40-27-10-7-23(8-11-27)32(46)43-16-14-42(2)15-17-43/h3-11,18-20H,12-17,21H2,1-2H3,(H,39,45)(H,38,40,41)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...

US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM148398
PNG
(US8962637, 123)
Show SMILES CC(CC(=O)Nc1ccc(C)c(c1)N1CCc2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2C1)C(F)(F)F
Show InChI InChI=1S/C30H36F3N7O/c1-20-4-5-24(35-28(41)16-21(2)30(31,32)33)17-27(20)40-11-10-26-22(19-40)18-34-29(37-26)36-23-6-8-25(9-7-23)39-14-12-38(3)13-15-39/h4-9,17-18,21H,10-16,19H2,1-3H3,(H,35,41)(H,34,36,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...

US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM132118
PNG
(USRE45173, 29A)
Show SMILES Cc1coc2ccc(cc12)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C18H17N3O2/c1-12-5-6-19-10-16(12)21-8-7-20(18(21)22)14-3-4-17-15(9-14)13(2)11-23-17/h3-6,9-11H,7-8H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...

US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM132121
PNG
(USRE45173, 41A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(Cl)s1
Show InChI InChI=1S/C13H12ClN3OS/c1-9-4-5-15-8-10(9)16-6-7-17(13(16)18)12-3-2-11(14)19-12/h2-5,8H,6-7H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...

US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))		BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay

J Med Chem 60: 1495-1508 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01679
BindingDB Entry DOI: 10.7270/Q2TQ63S4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM132220
PNG
(USRE45173, 159A | USRE45173, 196A)
Show SMILES CCc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C17H16N4OS/c1-2-12-5-6-18-10-15(12)21-8-7-20(17(21)22)13-3-4-14-16(9-13)23-11-19-14/h3-6,9-11H,2,7-8H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...

US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM132220
PNG
(USRE45173, 159A | USRE45173, 196A)
Show SMILES CCc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C17H16N4OS/c1-2-12-5-6-18-10-15(12)21-8-7-20(17(21)22)13-3-4-14-16(9-13)23-11-19-14/h3-6,9-11H,2,7-8H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...

US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50509140
PNG
(CHEMBL4453304)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(c1)[C@@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:23|
Show InChI InChI=1S/C22H22O7/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h3-4,6-12,20-21,24-26H,5H2,1-2H3/b8-3-/t12-,20+,21+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay

J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM148422
PNG
(US8962637, 153)
Show SMILES Cc1ccc(NC(=O)NC2CCCC2)cc1N1CCc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C1
Show InChI InChI=1S/C32H41N7O2/c1-23-8-9-27(36-32(40)35-25-6-2-3-7-25)20-30(23)39-17-14-29-24(22-39)21-33-31(37-29)34-26-10-12-28(13-11-26)41-19-18-38-15-4-5-16-38/h8-13,20-21,25H,2-7,14-19,22H2,1H3,(H,33,34,37)(H2,35,36,40)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 4n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...

US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM132117
PNG
(USRE45173, 28A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H15N5O/c1-11-4-5-17-10-15(11)21-7-6-20(16(21)22)13-2-3-14-12(8-13)9-18-19-14/h2-5,8-10H,6-7H2,1H3,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...

US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM148358
PNG
(US8962637, 83)
Show SMILES CNC(=O)c1ccc(Nc2ncc3CN(CCc3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1
Show InChI InChI=1S/C29H26F3N7O2/c1-17-6-7-21(36-26(40)18-4-3-5-20(12-18)29(30,31)32)13-25(17)39-11-10-23-19(16-39)14-35-28(38-23)37-22-8-9-24(34-15-22)27(41)33-2/h3-9,12-15H,10-11,16H2,1-2H3,(H,33,41)(H,36,40)(H,35,37,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 4n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...

US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM132152
PNG
(USRE45173, 91A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(F)c(c1)C(F)F
Show InChI InChI=1S/C16H14F3N3O/c1-10-4-5-20-9-14(10)22-7-6-21(16(22)23)11-2-3-13(17)12(8-11)15(18)19/h2-5,8-9,15H,6-7H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 4.30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...

US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50509140
PNG
(CHEMBL4453304)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(c1)[C@@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:23|
Show InChI InChI=1S/C22H22O7/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h3-4,6-12,20-21,24-26H,5H2,1-2H3/b8-3-/t12-,20+,21+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using EAIYAAPFAKKK substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay

J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM158436
PNG
(US9029399, 9A | US9339501, 9A)
Show SMILES COc1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C17H18N4O2/c1-23-16-10-13(4-7-19-16)20-8-9-21(17(20)22)15-11-18-6-5-14(15)12-2-3-12/h4-7,10-12H,2-3,8-9H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 4.60n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...

US Patent US9339501 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KG2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM158436
PNG
(US9029399, 9A | US9339501, 9A)
Show SMILES COc1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C17H18N4O2/c1-23-16-10-13(4-7-19-16)20-8-9-21(17(20)22)15-11-18-6-5-14(15)12-2-3-12/h4-7,10-12H,2-3,8-9H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 4.60n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...

US Patent US9029399 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JFD
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 482 total )  |  Next  |  Last  >>
Jump to: