BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 6933   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50262685
PNG
(6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/a 25.1n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM36356
PNG
(DMH3 | N,N-dimethyl-3-(4- (3-(quinolin-4-yl)pyrazo...)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C26H25N5O/c1-30(2)14-5-15-32-21-10-8-19(9-11-21)20-16-28-26-24(17-29-31(26)18-20)22-12-13-27-25-7-4-3-6-23(22)25/h3-4,6-13,16-18H,5,14-15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 26.7n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM160333
PNG
(US9040694, 5)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1
Show InChI InChI=1S/C22H21N5/c1-2-4-18(5-3-1)21-15-25-27-16-19(14-24-22(21)27)17-6-8-20(9-7-17)26-12-10-23-11-13-26/h1-9,14-16,23H,10-13H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 40.7n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM36355
PNG
(4-(2-(4-(3-(quinolin-4-yl)pyrazolo[1,5-a]pyrimidin...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C27H25N5O2/c1-2-4-26-24(3-1)23(9-10-28-26)25-18-30-32-19-21(17-29-27(25)32)20-5-7-22(8-6-20)34-16-13-31-11-14-33-15-12-31/h1-10,17-19H,11-16H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 42.8n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM36354
PNG
(4-(6-(4-isopropoxyphenyl)pyrazolo[1,5-a]pyrimidin-...)
Show SMILES CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-13-26-24-22(14-27-28(24)15-18)20-11-12-25-23-6-4-3-5-21(20)23/h3-16H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 108n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM50262685
PNG
(6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
n/an/a 148n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM160333
PNG
(US9040694, 5)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1
Show InChI InChI=1S/C22H21N5/c1-2-4-18(5-3-1)21-15-25-27-16-19(14-24-22(21)27)17-6-8-20(9-7-17)26-12-10-23-11-13-26/h1-9,14-16,23H,10-13H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 215n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM5410
PNG
(4-(2-(4-(3-phenylpyrazolo[1,5- a]pyrimidin-6-yl)ph...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O2/c1-2-4-20(5-3-1)23-17-26-28-18-21(16-25-24(23)28)19-6-8-22(9-7-19)30-15-12-27-10-13-29-14-11-27/h1-9,16-18H,10-15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 235n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase subunit beta-1


(Homo sapiens)
BDBM50262685
PNG
(6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/a 318n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase subunit beta-1


(Homo sapiens)
BDBM36355
PNG
(4-(2-(4-(3-(quinolin-4-yl)pyrazolo[1,5-a]pyrimidin...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C27H25N5O2/c1-2-4-26-24(3-1)23(9-10-28-26)25-18-30-32-19-21(17-29-27(25)32)20-5-7-22(8-6-20)34-16-13-31-11-14-33-15-12-31/h1-10,17-19H,11-16H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 527n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM160333
PNG
(US9040694, 5)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1
Show InChI InChI=1S/C22H21N5/c1-2-4-18(5-3-1)21-15-25-27-16-19(14-24-22(21)27)17-6-8-20(9-7-17)26-12-10-23-11-13-26/h1-9,14-16,23H,10-13H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 565n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM36356
PNG
(DMH3 | N,N-dimethyl-3-(4- (3-(quinolin-4-yl)pyrazo...)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C26H25N5O/c1-30(2)14-5-15-32-21-10-8-19(9-11-21)20-16-28-26-24(17-29-31(26)18-20)22-12-13-27-25-7-4-3-6-23(22)25/h3-4,6-13,16-18H,5,14-15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 999n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase subunit beta-1


(Homo sapiens)
BDBM160333
PNG
(US9040694, 5)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1
Show InChI InChI=1S/C22H21N5/c1-2-4-18(5-3-1)21-15-25-27-16-19(14-24-22(21)27)17-6-8-20(9-7-17)26-12-10-23-11-13-26/h1-9,14-16,23H,10-13H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.12E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM36355
PNG
(4-(2-(4-(3-(quinolin-4-yl)pyrazolo[1,5-a]pyrimidin...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C27H25N5O2/c1-2-4-26-24(3-1)23(9-10-28-26)25-18-30-32-19-21(17-29-27(25)32)20-5-7-22(8-6-20)34-16-13-31-11-14-33-15-12-31/h1-10,17-19H,11-16H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 1.58E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase subunit beta-1


(Homo sapiens)
BDBM36356
PNG
(DMH3 | N,N-dimethyl-3-(4- (3-(quinolin-4-yl)pyrazo...)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C26H25N5O/c1-30(2)14-5-15-32-21-10-8-19(9-11-21)20-16-28-26-24(17-29-31(26)18-20)22-12-13-27-25-7-4-3-6-23(22)25/h3-4,6-13,16-18H,5,14-15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.94E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM36356
PNG
(DMH3 | N,N-dimethyl-3-(4- (3-(quinolin-4-yl)pyrazo...)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C26H25N5O/c1-30(2)14-5-15-32-21-10-8-19(9-11-21)20-16-28-26-24(17-29-31(26)18-20)22-12-13-27-25-7-4-3-6-23(22)25/h3-4,6-13,16-18H,5,14-15H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 2.06E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM36355
PNG
(4-(2-(4-(3-(quinolin-4-yl)pyrazolo[1,5-a]pyrimidin...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C27H25N5O2/c1-2-4-26-24(3-1)23(9-10-28-26)25-18-30-32-19-21(17-29-27(25)32)20-5-7-22(8-6-20)34-16-13-31-11-14-33-15-12-31/h1-10,17-19H,11-16H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 2.42E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM5410
PNG
(4-(2-(4-(3-phenylpyrazolo[1,5- a]pyrimidin-6-yl)ph...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O2/c1-2-4-20(5-3-1)23-17-26-28-18-21(16-25-24(23)28)19-6-8-22(9-7-19)30-15-12-27-10-13-29-14-11-27/h1-9,16-18H,10-15H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 2.57E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase subunit beta-1


(Homo sapiens)
BDBM5410
PNG
(4-(2-(4-(3-phenylpyrazolo[1,5- a]pyrimidin-6-yl)ph...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O2/c1-2-4-20(5-3-1)23-17-26-28-18-21(16-25-24(23)28)19-6-8-22(9-7-19)30-15-12-27-10-13-29-14-11-27/h1-9,16-18H,10-15H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 2.92E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50262685
PNG
(6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/a 1.08E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair