BindingDB logo
myBDB logout

PubMed code 17317182

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
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))
BDBM50206282
PNG
(5-chloro-4-(1H-indol-3-yl)-N-(4-(2-(4-methylpipera...)
Show SMILES CN1CCN(CCc2ccc(Nc3ncc(Cl)c(n3)-c3c[nH]c4ccccc34)cc2)CC1
Show InChI InChI=1S/C25H27ClN6/c1-31-12-14-32(15-13-31)11-10-18-6-8-19(9-7-18)29-25-28-17-22(26)24(30-25)21-16-27-23-5-3-2-4-20(21)23/h2-9,16-17,27H,10-15H2,1H3,(H,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206281
PNG
(5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(1...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C22H22ClN5/c1-28(2)12-11-15-7-9-16(10-8-15)26-22-25-14-19(23)21(27-22)18-13-24-20-6-4-3-5-17(18)20/h3-10,13-14,24H,11-12H2,1-2H3,(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206272
PNG
(5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(1...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2ccc3cc[nH]c3c2)cc1
Show InChI InChI=1S/C22H22ClN5/c1-28(2)12-10-15-3-7-18(8-4-15)26-22-25-14-19(23)21(27-22)17-6-5-16-9-11-24-20(16)13-17/h3-9,11,13-14,24H,10,12H2,1-2H3,(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206279
PNG
(5-chloro-4-(1H-indol-6-yl)-N-(4-(2-(pyrrolidin-1-y...)
Show SMILES Clc1cnc(Nc2ccc(CCN3CCCC3)cc2)nc1-c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C24H24ClN5/c25-21-16-27-24(29-23(21)19-6-5-18-9-11-26-22(18)15-19)28-20-7-3-17(4-8-20)10-14-30-12-1-2-13-30/h3-9,11,15-16,26H,1-2,10,12-14H2,(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206285
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-5-chloro-N-(4-(2-...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2ccc(cc2)C(C)(C)N)cc1
Show InChI InChI=1S/C23H28ClN5/c1-23(2,25)18-9-7-17(8-10-18)21-20(24)15-26-22(28-21)27-19-11-5-16(6-12-19)13-14-29(3)4/h5-12,15H,13-14,25H2,1-4H3,(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206271
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-5-chloro-N-(4-(2-...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCN3CCCC3)cc2)ncc1Cl
Show InChI InChI=1S/C25H30ClN5/c1-25(2,27)20-9-7-19(8-10-20)23-22(26)17-28-24(30-23)29-21-11-5-18(6-12-21)13-16-31-14-3-4-15-31/h5-12,17H,3-4,13-16,27H2,1-2H3,(H,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206277
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-5-chloro-N-(4-(2-...)
Show SMILES CNCCc1ccc(Nc2ncc(Cl)c(n2)-c2ccc(cc2)C(C)(C)N)cc1
Show InChI InChI=1S/C22H26ClN5/c1-22(2,24)17-8-6-16(7-9-17)20-19(23)14-26-21(28-20)27-18-10-4-15(5-11-18)12-13-25-3/h4-11,14,25H,12-13,24H2,1-3H3,(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206276
PNG
(5-chloro-N-(4-(2-(4-ethylpiperazin-1-yl)ethyl)phen...)
Show SMILES CCN1CCN(CCc2ccc(Nc3ncc(Cl)c(n3)-c3ccc4cc[nH]c4c3)cc2)CC1
Show InChI InChI=1S/C26H29ClN6/c1-2-32-13-15-33(16-14-32)12-10-19-3-7-22(8-4-19)30-26-29-18-23(27)25(31-26)21-6-5-20-9-11-28-24(20)17-21/h3-9,11,17-18,28H,2,10,12-16H2,1H3,(H,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206281
PNG
(5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(1...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C22H22ClN5/c1-28(2)12-11-15-7-9-16(10-8-15)26-22-25-14-19(23)21(27-22)18-13-24-20-6-4-3-5-17(18)20/h3-10,13-14,24H,11-12H2,1-2H3,(H,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206283
PNG
(2-(4-(4-(4-(2-aminopropan-2-yl)phenyl)-5-chloropyr...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1Cl
Show InChI InChI=1S/C21H23ClN4O/c1-21(2,23)16-7-5-15(6-8-16)19-18(22)13-24-20(26-19)25-17-9-3-14(4-10-17)11-12-27/h3-10,13,27H,11-12,23H2,1-2H3,(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 69n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206278
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-5-chloro-N-(4-(2-...)
Show SMILES CN1CCN(CCc2ccc(Nc3ncc(Cl)c(n3)-c3ccc(cc3)C(C)(C)N)cc2)CC1
Show InChI InChI=1S/C26H33ClN6/c1-26(2,28)21-8-6-20(7-9-21)24-23(27)18-29-25(31-24)30-22-10-4-19(5-11-22)12-13-33-16-14-32(3)15-17-33/h4-11,18H,12-17,28H2,1-3H3,(H,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 76n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206284
PNG
(5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(1...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2ccc3[nH]ccc3c2)cc1
Show InChI InChI=1S/C22H22ClN5/c1-28(2)12-10-15-3-6-18(7-4-15)26-22-25-14-19(23)21(27-22)17-5-8-20-16(13-17)9-11-24-20/h3-9,11,13-14,24H,10,12H2,1-2H3,(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 103n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206280
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-5-chloro-N-(4-(2-...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCN3CCOCC3)cc2)ncc1Cl
Show InChI InChI=1S/C25H30ClN5O/c1-25(2,27)20-7-5-19(6-8-20)23-22(26)17-28-24(30-23)29-21-9-3-18(4-10-21)11-12-31-13-15-32-16-14-31/h3-10,17H,11-16,27H2,1-2H3,(H,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 148n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206275
PNG
(5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(t...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2cccs2)cc1
Show InChI InChI=1S/C18H19ClN4S/c1-23(2)10-9-13-5-7-14(8-6-13)21-18-20-12-15(19)17(22-18)16-4-3-11-24-16/h3-8,11-12H,9-10H2,1-2H3,(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 159n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206282
PNG
(5-chloro-4-(1H-indol-3-yl)-N-(4-(2-(4-methylpipera...)
Show SMILES CN1CCN(CCc2ccc(Nc3ncc(Cl)c(n3)-c3c[nH]c4ccccc34)cc2)CC1
Show InChI InChI=1S/C25H27ClN6/c1-31-12-14-32(15-13-31)11-10-18-6-8-19(9-7-18)29-25-28-17-22(26)24(30-25)21-16-27-23-5-3-2-4-20(21)23/h2-9,16-17,27H,10-15H2,1H3,(H,28,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206273
PNG
(5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(1...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2cccc3[nH]ccc23)cc1
Show InChI InChI=1S/C22H22ClN5/c1-28(2)13-11-15-6-8-16(9-7-15)26-22-25-14-19(23)21(27-22)18-4-3-5-20-17(18)10-12-24-20/h3-10,12,14,24H,11,13H2,1-2H3,(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 216n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206274
PNG
(5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(1...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2n[nH]c3ccccc23)cc1
Show InChI InChI=1S/C21H21ClN6/c1-28(2)12-11-14-7-9-15(10-8-14)24-21-23-13-17(22)20(25-21)19-16-5-3-4-6-18(16)26-27-19/h3-10,13H,11-12H2,1-2H3,(H,26,27)(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 314n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206270
PNG
(5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(1...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2cccc3cc[nH]c23)cc1
Show InChI InChI=1S/C22H22ClN5/c1-28(2)13-11-15-6-8-17(9-7-15)26-22-25-14-19(23)21(27-22)18-5-3-4-16-10-12-24-20(16)18/h3-10,12,14,24H,11,13H2,1-2H3,(H,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 334n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206269
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-N-(3-bromophenyl)...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc(Nc2cccc(Br)c2)ncc1Cl
Show InChI InChI=1S/C19H18BrClN4/c1-19(2,22)13-8-6-12(7-9-13)17-16(21)11-23-18(25-17)24-15-5-3-4-14(20)10-15/h3-11H,22H2,1-2H3,(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 348n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206286
PNG
(5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(2...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2sc(C)nc2C)cc1
Show InChI InChI=1S/C19H22ClN5S/c1-12-18(26-13(2)22-12)17-16(20)11-21-19(24-17)23-15-7-5-14(6-8-15)9-10-25(3)4/h5-8,11H,9-10H2,1-4H3,(H,21,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 439n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206270
PNG
(5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(1...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2cccc3cc[nH]c23)cc1
Show InChI InChI=1S/C22H22ClN5/c1-28(2)13-11-15-6-8-17(9-7-15)26-22-25-14-19(23)21(27-22)18-5-3-4-16-10-12-24-20(16)18/h3-10,12,14,24H,11,13H2,1-2H3,(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 455n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206275
PNG
(5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(t...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2cccs2)cc1
Show InChI InChI=1S/C18H19ClN4S/c1-23(2)10-9-13-5-7-14(8-6-13)21-18-20-12-15(19)17(22-18)16-4-3-11-24-16/h3-8,11-12H,9-10H2,1-2H3,(H,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 461n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206273
PNG
(5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(1...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2cccc3[nH]ccc23)cc1
Show InChI InChI=1S/C22H22ClN5/c1-28(2)13-11-15-6-8-16(9-7-15)26-22-25-14-19(23)21(27-22)18-4-3-5-20-17(18)10-12-24-20/h3-10,12,14,24H,11,13H2,1-2H3,(H,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206283
PNG
(2-(4-(4-(4-(2-aminopropan-2-yl)phenyl)-5-chloropyr...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1Cl
Show InChI InChI=1S/C21H23ClN4O/c1-21(2,23)16-7-5-15(6-8-16)19-18(22)13-24-20(26-19)25-17-9-3-14(4-10-17)11-12-27/h3-10,13,27H,11-12,23H2,1-2H3,(H,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 687n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206274
PNG
(5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(1...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2n[nH]c3ccccc23)cc1
Show InChI InChI=1S/C21H21ClN6/c1-28(2)12-11-14-7-9-15(10-8-14)24-21-23-13-17(22)20(25-21)19-16-5-3-4-6-18(16)26-27-19/h3-10,13H,11-12H2,1-2H3,(H,26,27)(H,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 781n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206286
PNG
(5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(2...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2sc(C)nc2C)cc1
Show InChI InChI=1S/C19H22ClN5S/c1-12-18(26-13(2)22-12)17-16(20)11-21-19(24-17)23-15-7-5-14(6-8-15)9-10-25(3)4/h5-8,11H,9-10H2,1-4H3,(H,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 797n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibiton of VEGFR2


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206271
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-5-chloro-N-(4-(2-...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCN3CCCC3)cc2)ncc1Cl
Show InChI InChI=1S/C25H30ClN5/c1-25(2,27)20-9-7-19(8-10-20)23-22(26)17-28-24(30-23)29-21-11-5-18(6-12-21)13-16-31-14-3-4-15-31/h5-12,17H,3-4,13-16,27H2,1-2H3,(H,28,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 808n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206284
PNG
(5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(1...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2ccc3[nH]ccc3c2)cc1
Show InChI InChI=1S/C22H22ClN5/c1-28(2)12-10-15-3-6-18(7-4-15)26-22-25-14-19(23)21(27-22)17-5-8-20-16(13-17)9-11-24-20/h3-9,11,13-14,24H,10,12H2,1-2H3,(H,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 847n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206269
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-N-(3-bromophenyl)...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc(Nc2cccc(Br)c2)ncc1Cl
Show InChI InChI=1S/C19H18BrClN4/c1-19(2,22)13-8-6-12(7-9-13)17-16(21)11-23-18(25-17)24-15-5-3-4-14(20)10-15/h3-11H,22H2,1-2H3,(H,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.04E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206277
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-5-chloro-N-(4-(2-...)
Show SMILES CNCCc1ccc(Nc2ncc(Cl)c(n2)-c2ccc(cc2)C(C)(C)N)cc1
Show InChI InChI=1S/C22H26ClN5/c1-22(2,24)17-8-6-16(7-9-17)20-19(23)14-26-21(28-20)27-18-10-4-15(5-11-18)12-13-25-3/h4-11,14,25H,12-13,24H2,1-3H3,(H,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.06E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206285
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-5-chloro-N-(4-(2-...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2ccc(cc2)C(C)(C)N)cc1
Show InChI InChI=1S/C23H28ClN5/c1-23(2,25)18-9-7-17(8-10-18)21-20(24)15-26-22(28-21)27-19-11-5-16(6-12-19)13-14-29(3)4/h5-12,15H,13-14,25H2,1-4H3,(H,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.14E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206276
PNG
(5-chloro-N-(4-(2-(4-ethylpiperazin-1-yl)ethyl)phen...)
Show SMILES CCN1CCN(CCc2ccc(Nc3ncc(Cl)c(n3)-c3ccc4cc[nH]c4c3)cc2)CC1
Show InChI InChI=1S/C26H29ClN6/c1-2-32-13-15-33(16-14-32)12-10-19-3-7-22(8-4-19)30-26-29-18-23(27)25(31-26)21-6-5-20-9-11-28-24(20)17-21/h3-9,11,17-18,28H,2,10,12-16H2,1H3,(H,29,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.24E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206279
PNG
(5-chloro-4-(1H-indol-6-yl)-N-(4-(2-(pyrrolidin-1-y...)
Show SMILES Clc1cnc(Nc2ccc(CCN3CCCC3)cc2)nc1-c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C24H24ClN5/c25-21-16-27-24(29-23(21)19-6-5-18-9-11-26-22(18)15-19)28-20-7-3-17(4-8-20)10-14-30-12-1-2-13-30/h3-9,11,15-16,26H,1-2,10,12-14H2,(H,27,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.54E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206278
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-5-chloro-N-(4-(2-...)
Show SMILES CN1CCN(CCc2ccc(Nc3ncc(Cl)c(n3)-c3ccc(cc3)C(C)(C)N)cc2)CC1
Show InChI InChI=1S/C26H33ClN6/c1-26(2,28)21-8-6-20(7-9-21)24-23(27)18-29-25(31-24)30-22-10-4-19(5-11-22)12-13-33-16-14-32(3)15-17-33/h4-11,18H,12-17,28H2,1-3H3,(H,29,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.61E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206272
PNG
(5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(1...)
Show SMILES CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2ccc3cc[nH]c3c2)cc1
Show InChI InChI=1S/C22H22ClN5/c1-28(2)12-10-15-3-7-18(8-4-15)26-22-25-14-19(23)21(27-22)17-6-5-16-9-11-24-20(16)13-17/h3-9,11,13-14,24H,10,12H2,1-2H3,(H,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.77E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50206280
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-5-chloro-N-(4-(2-...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCN3CCOCC3)cc2)ncc1Cl
Show InChI InChI=1S/C25H30ClN5O/c1-25(2,27)20-7-5-19(6-8-20)23-22(26)17-28-24(30-23)29-21-9-3-18(4-10-21)11-12-31-13-15-32-16-14-31/h3-10,17H,11-16,27H2,1-2H3,(H,28,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 2.77E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2179-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.086
BindingDB Entry DOI: 10.7270/Q2CR5T2B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%