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Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'stamm' and Initial = 'c'   
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
DOPA decarboxylase


(Sus scrofa)
BDBM50005740
PNG
((+)-1-Amino-2-(3-hydroxy-phenyl)-cyclopropa necarb...)
Show SMILES NC1(CC1c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C10H11NO3/c11-10(9(13)14)5-8(10)6-2-1-3-7(12)4-6/h1-4,8,12H,5,11H2,(H,13,14)
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2.20E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against pig kidney L-aromatic amino acid decarboxylase (Dopamine decarboxylase)


J Med Chem 35: 1410-7 (1992)


BindingDB Entry DOI: 10.7270/Q2W094WD
More data for this
Ligand-Target Pair
DOPA decarboxylase


(Sus scrofa)
BDBM50005743
PNG
((-)-1-Amino-2-(3-hydroxy-phenyl)-cyclopropanecarbo...)
Show SMILES N[C@]1(C[C@H]1c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C10H11NO3/c11-10(9(13)14)5-8(10)6-2-1-3-7(12)4-6/h1-4,8,12H,5,11H2,(H,13,14)/t8-,10-/m0/s1
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4.90E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against pig kidney L-aromatic amino acid decarboxylase(Dopa decarboxylase)


J Med Chem 35: 1410-7 (1992)


BindingDB Entry DOI: 10.7270/Q2W094WD
More data for this
Ligand-Target Pair
DOPA decarboxylase


(Sus scrofa)
BDBM50005741
PNG
((+)-1-Amino-2-(3-hydroxy-phenyl)-cyclopropanecarbo...)
Show SMILES N[C@@]1(C[C@@H]1c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C10H11NO3/c11-10(9(13)14)5-8(10)6-2-1-3-7(12)4-6/h1-4,8,12H,5,11H2,(H,13,14)/t8-,10-/m1/s1
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3.30E+5n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against pig kidney L-aromatic amino acid decarboxylase (Dopa decarboxylase)


J Med Chem 35: 1410-7 (1992)


BindingDB Entry DOI: 10.7270/Q2W094WD
More data for this
Ligand-Target Pair
DOPA decarboxylase


(Sus scrofa)
BDBM50005740
PNG
((+)-1-Amino-2-(3-hydroxy-phenyl)-cyclopropa necarb...)
Show SMILES NC1(CC1c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C10H11NO3/c11-10(9(13)14)5-8(10)6-2-1-3-7(12)4-6/h1-4,8,12H,5,11H2,(H,13,14)
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6.30E+5n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against pig kidney L-aromatic amino acid decarboxylase(Dopa decarboxylase)


J Med Chem 35: 1410-7 (1992)


BindingDB Entry DOI: 10.7270/Q2W094WD
More data for this
Ligand-Target Pair
DOPA decarboxylase


(Sus scrofa)
BDBM50005742
PNG
((+)-D-m-Tyrosine2-Amino-3-(3-hydroxy-phenyl)-2-met...)
Show SMILES C[C@](N)(Cc1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-3-2-4-8(12)5-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1
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1.00E+6n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against pig kidney L-aromatic amino acid decarboxylase (Dopamine decarboxylase)


J Med Chem 35: 1410-7 (1992)


BindingDB Entry DOI: 10.7270/Q2W094WD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276291
PNG
(CHEMBL472464 | N-benzyl-N-(1'-(2,6-dimethylbenzoyl...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)C(=O)C1CC1
Show InChI InChI=1S/C31H41N3O2/c1-23-8-7-9-24(2)28(23)30(36)32-20-16-31(3,17-21-32)33-18-14-27(15-19-33)34(29(35)26-12-13-26)22-25-10-5-4-6-11-25/h4-11,26-27H,12-22H2,1-3H3
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 0.700n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR3 juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 0.900n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant FGFR1


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276260
PNG
((R)-N-benzyl-N-(1-(1-(2,6-dimethylbenzoyl)piperidi...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1 |r|
Show InChI InChI=1S/C29H37N3O2/c1-21-7-6-8-22(2)27(21)29(34)30-16-13-25(14-17-30)31-18-15-26(20-31)32(28(33)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-26H,11-20H2,1-2H3/t26-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant FGFR3


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276259
PNG
(CHEMBL481068 | exo-N-benzyl-N-((R)-1-(8-(2,6-dimet...)
Show SMILES Cc1cccc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1 |r,THB:8:10:15.16.17:12.13|
Show InChI InChI=1S/C31H39N3O2/c1-21-7-6-8-22(2)29(21)31(36)34-25-13-14-26(34)18-28(17-25)32-16-15-27(20-32)33(30(35)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-28H,11-20H2,1-2H3/t25-,26+,27-,28-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 1.40n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant FGFR2


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 2n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR2 juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 2n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR3-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 2.90n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR1-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276290
PNG
(CHEMBL472260 | N-benzyl-N-(1'-(2,6-dimethylbenzoyl...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(Cc1ccccc1)C(=O)C1CCC1
Show InChI InChI=1S/C31H41N3O2/c1-23-8-6-9-24(2)29(23)31(36)33-20-14-27(15-21-33)32-18-16-28(17-19-32)34(30(35)26-12-7-13-26)22-25-10-4-3-5-11-25/h3-6,8-11,26-28H,7,12-22H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 4.60n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of wild type FGFR1 expressed in HEK293 cells assessed as inhibition of autophosphorylation of tyrosine residue after 40 mins by ELISA assa...


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 4.90n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of wild type FGFR2 expressed in HEK293 cells assessed as inhibition of autophosphorylation of tyrosine residue after 40 mins by ELISA assa...


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276260
PNG
((R)-N-benzyl-N-(1-(1-(2,6-dimethylbenzoyl)piperidi...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1 |r|
Show InChI InChI=1S/C29H37N3O2/c1-21-7-6-8-22(2)27(21)29(34)30-16-13-25(14-17-30)31-18-15-26(20-31)32(28(33)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-26H,11-20H2,1-2H3/t26-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125]Mip1beta form CCR5 receptor (unknown origin) expressed in MIP34.10 cells


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276623
PNG
((4-((1-benzhydrylazetidin-3-yl)(methyl)amino)piper...)
Show SMILES CN(C1CN(C1)C(c1ccccc1)c1ccccc1)C1CCN(CC1)C(=O)c1c(C)ccnc1C
Show InChI InChI=1S/C30H36N4O/c1-22-14-17-31-23(2)28(22)30(35)33-18-15-26(16-19-33)32(3)27-20-34(21-27)29(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-14,17,26-27,29H,15-16,18-21H2,1-3H3
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n/an/a 24n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276672
PNG
((4-(3-benzhydryl-3,8-diazabicyclo[3.2.1]octan-8-yl...)
Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(CC1)N1C2CCC1CN(C2)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H38N4O/c1-23-15-18-33-24(2)30(23)32(37)34-19-16-27(17-20-34)36-28-13-14-29(36)22-35(21-28)31(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-12,15,18,27-29,31H,13-14,16-17,19-22H2,1-2H3
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n/an/a 41n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276793
PNG
(CHEMBL459986 | rac-N-(2-(3-(2,2-diphenylethyl)pipe...)
Show SMILES Cc1ccnc(C)c1C(=O)NCCN1CCCC(CC(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C29H35N3O/c1-22-15-16-30-23(2)28(22)29(33)31-17-19-32-18-9-10-24(21-32)20-27(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-8,11-16,24,27H,9-10,17-21H2,1-2H3,(H,31,33)
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n/an/a 56n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 60n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant FGFR4


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50355394
PNG
(CHEMBL1834663)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(CN(C)C)c3)ncn2)c1Cl
Show InChI InChI=1S/C23H26Cl2N6O3/c1-30(2)12-14-7-6-8-15(9-14)28-18-11-19(27-13-26-18)31(3)23(32)29-22-20(24)16(33-4)10-17(34-5)21(22)25/h6-11,13H,12H2,1-5H3,(H,29,32)(H,26,27,28)
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n/an/a<100n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using DBF as substrate


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276792
PNG
((3-((1-benzhydrylpiperidin-4-yl)(methyl)amino)azet...)
Show SMILES CN(C1CN(C1)C(=O)c1c(C)ccnc1C)C1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H36N4O/c1-22-14-17-31-23(2)28(22)30(35)34-20-27(21-34)32(3)26-15-18-33(19-16-26)29(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-14,17,26-27,29H,15-16,18-21H2,1-3H3
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n/an/a 102n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276217
PNG
(CHEMBL471403 | N-((4-benzyl-1'-(2,6-dimethylbenzoy...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCC(CNC(=O)C2CC2)(Cc2ccccc2)CC1
Show InChI InChI=1S/C31H41N3O2/c1-23-7-6-8-24(2)28(23)30(36)34-17-13-27(14-18-34)33-19-15-31(16-20-33,21-25-9-4-3-5-10-25)22-32-29(35)26-11-12-26/h3-10,26-27H,11-22H2,1-2H3,(H,32,35)
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n/an/a 145n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 168n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of wild type FGFR4 expressed in HEK293 cells assessed as inhibition of autophosphorylation of tyrosine residue after 40 mins by ELISA assa...


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 180n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 300n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant LYN kinase


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50355388
PNG
(CHEMBL1834662)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(CN4CCN(C)CC4)c3)ncn2)c1Cl
Show InChI InChI=1S/C26H31Cl2N7O3/c1-33-8-10-35(11-9-33)15-17-6-5-7-18(12-17)31-21-14-22(30-16-29-21)34(2)26(36)32-25-23(27)19(37-3)13-20(38-4)24(25)28/h5-7,12-14,16H,8-11,15H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 300n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 using CEC as substrate


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276671
PNG
((4-(8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl...)
Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(CC1)N1CC2CCC(C1)N2C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H38N4O/c1-23-15-18-33-24(2)30(23)32(37)34-19-16-27(17-20-34)35-21-28-13-14-29(22-35)36(28)31(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-12,15,18,27-29,31H,13-14,16-17,19-22H2,1-2H3
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n/an/a 313n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50355388
PNG
(CHEMBL1834662)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(CN4CCN(C)CC4)c3)ncn2)c1Cl
Show InChI InChI=1S/C26H31Cl2N7O3/c1-33-8-10-35(11-9-33)15-17-6-5-7-18(12-17)31-21-14-22(30-16-29-21)34(2)26(36)32-25-23(27)19(37-3)13-20(38-4)24(25)28/h5-7,12-14,16H,8-11,15H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 500n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BFC as substrate


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50234144
PNG
(1-(2,6-dichlorophenyl)-3-(6-(4-(2-(diethylamino)et...)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ncn2)cc1
Show InChI InChI=1S/C23H26Cl2N6O2/c1-3-31(4-2)12-13-33-17-10-8-16(9-11-17)28-20-14-21(27-15-26-20)29-23(32)30-22-18(24)6-5-7-19(22)25/h5-11,14-15H,3-4,12-13H2,1-2H3,(H3,26,27,28,29,30,32)
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n/an/a 570n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 750n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant KIT kinase


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50355392
PNG
(CHEMBL1834658)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl
Show InChI InChI=1S/C25H29Cl2N7O3/c1-32-8-10-34(11-9-32)17-7-5-6-16(12-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27/h5-7,12-15H,8-11H2,1-4H3,(H,31,35)(H,28,29,30)
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n/an/a 900n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 using CEC as substrate


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 938n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50355390
PNG
(CHEMBL1834660)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(CCCN(C)C)cc3)ncn2)c1Cl
Show InChI InChI=1S/C25H30Cl2N6O3/c1-32(2)12-6-7-16-8-10-17(11-9-16)30-20-14-21(29-15-28-20)33(3)25(34)31-24-22(26)18(35-4)13-19(36-5)23(24)27/h8-11,13-15H,6-7,12H2,1-5H3,(H,31,34)(H,28,29,30)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BFC as substrate


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50355389
PNG
(CHEMBL1834661)
Show SMILES CCN1CCC(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C27H32Cl2N6O3/c1-5-35-12-10-18(11-13-35)17-6-8-19(9-7-17)32-22-15-23(31-16-30-22)34(2)27(36)33-26-24(28)20(37-3)14-21(38-4)25(26)29/h6-9,14-16,18H,5,10-13H2,1-4H3,(H,33,36)(H,30,31,32)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 using CEC as substrate


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50355392
PNG
(CHEMBL1834658)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl
Show InChI InChI=1S/C25H29Cl2N7O3/c1-32-8-10-34(11-9-32)17-7-5-6-16(12-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27/h5-7,12-15H,8-11H2,1-4H3,(H,31,35)(H,28,29,30)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BFC as substrate


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant YES kinase


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50355389
PNG
(CHEMBL1834661)
Show SMILES CCN1CCC(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C27H32Cl2N6O3/c1-5-35-12-10-18(11-13-35)17-6-8-19(9-7-17)32-22-15-23(31-16-30-22)34(2)27(36)33-26-24(28)20(37-3)14-21(38-4)25(26)29/h6-9,14-16,18H,5,10-13H2,1-4H3,(H,33,36)(H,30,31,32)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BFC as substrate


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276261
PNG
((S)-N-benzyl-N-(1-(1-(2,6-dimethylbenzoyl)piperidi...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CC[C@@H](C1)N(Cc1ccccc1)C(=O)C1CC1 |r|
Show InChI InChI=1S/C29H37N3O2/c1-21-7-6-8-22(2)27(21)29(34)30-16-13-25(14-17-30)31-18-15-26(20-31)32(28(33)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-26H,11-20H2,1-2H3/t26-/m0/s1
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n/an/a 1.23E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50355394
PNG
(CHEMBL1834663)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(CN(C)C)c3)ncn2)c1Cl
Show InChI InChI=1S/C23H26Cl2N6O3/c1-30(2)12-14-7-6-8-15(9-14)28-18-11-19(27-13-26-18)31(3)23(32)29-22-20(24)16(33-4)10-17(34-5)21(22)25/h6-11,13H,12H2,1-5H3,(H,29,32)(H,26,27,28)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 using CEC as substrate


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50355392
PNG
(CHEMBL1834658)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl
Show InChI InChI=1S/C25H29Cl2N7O3/c1-32-8-10-34(11-9-32)17-7-5-6-16(12-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27/h5-7,12-15H,8-11H2,1-4H3,(H,31,35)(H,28,29,30)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 using MFC as substrate


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant FYN kinase


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 2.05E+3n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TIE2-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 2.07E+3n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant ABL kinase


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
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