new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 210 hits with Last Name = 'zimmerlin' and Initial = 'a'   
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
Phylloquinone omega-hydroxylase CYP4F2


(Homo sapiens (Human))
BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
740n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CYP4F2 in human liver microsomes assessed as fingolimod metabolism


Drug Metab Dispos 39: 191-8 (2011)


Article DOI: 10.1124/dmd.110.035378
BindingDB Entry DOI: 10.7270/Q28917MJ
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
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)
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50030448
PNG
(8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | CHEMBL269732 ...)
Show SMILES CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |r,t:45|
Show InChI InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 0.950n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research and Novartis Pharma Development

Curated by ChEMBL


Assay Description
Inhibitory activity against macrophilin (FKBP-12)


J Med Chem 47: 4950-7 (2004)


Article DOI: 10.1021/jm031101l
BindingDB Entry DOI: 10.7270/Q21N81WK
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
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
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
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)
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50153090
PNG
(CHEMBL411735 | Macrolide derivative)
Show SMILES COC1C[C@H](CC(C)[C@H]2OC(=O)C3CCCCN3C(=O)C(=O)[C@]3(O)CC([C@H](C[C@H]3C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)OC)CC[C@H]1CC(=O)Nc1ccc(CCCC(=O)OC)cc1 |t:40|
Show InChI InChI=1S/C58H88N2O13/c1-11-15-42-27-35(2)26-36(3)28-50(70-8)45-34-58(68,38(5)30-51(45)71-9)55(65)56(66)60-25-13-12-17-46(60)57(67)73-54(39(6)47(61)33-48(42)62)37(4)29-41-19-22-43(49(31-41)69-7)32-52(63)59-44-23-20-40(21-24-44)16-14-18-53(64)72-10/h11,20-21,23-24,27,36-39,41-43,45-47,49-51,54,61,68H,1,12-19,22,25-26,28-34H2,2-10H3,(H,59,63)/b35-27+/t36-,37?,38+,39+,41-,42+,43-,45?,46?,47-,49?,50-,51-,54+,58-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.45n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research and Novartis Pharma Development

Curated by ChEMBL


Assay Description
Inhibitory activity against macrophilin (FKBP-12)


J Med Chem 47: 4950-7 (2004)


Article DOI: 10.1021/jm031101l
BindingDB Entry DOI: 10.7270/Q21N81WK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50153091
PNG
(CHEMBL265123 | Macrolide derivative)
Show SMILES COC1C[C@H](CC(C)[C@H]2OC(=O)C3CCCCN3C(=O)C(=O)[C@]3(O)CC([C@H](C[C@H]3C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)OC)CC[C@H]1CC(=O)Nc1ccc(CCCC(O)=O)cc1 |t:40|
Show InChI InChI=1S/C57H86N2O13/c1-10-14-41-26-34(2)25-35(3)27-49(70-8)44-33-57(68,37(5)29-50(44)71-9)54(65)55(66)59-24-12-11-16-45(59)56(67)72-53(38(6)46(60)32-47(41)61)36(4)28-40-18-21-42(48(30-40)69-7)31-51(62)58-43-22-19-39(20-23-43)15-13-17-52(63)64/h10,19-20,22-23,26,35-38,40-42,44-46,48-50,53,60,68H,1,11-18,21,24-25,27-33H2,2-9H3,(H,58,62)(H,63,64)/b34-26+/t35-,36?,37+,38+,40-,41+,42-,44?,45?,46-,48?,49-,50-,53+,57-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.88n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research and Novartis Pharma Development

Curated by ChEMBL


Assay Description
Inhibitory activity against macrophilin (FKBP-12)


J Med Chem 47: 4950-7 (2004)


Article DOI: 10.1021/jm031101l
BindingDB Entry DOI: 10.7270/Q21N81WK
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
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 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
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 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
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)
MAP kinase p38


(Mus musculus (mouse))
BDBM50116037
PNG
(3,5-Difluoro-4-[5-(4-fluoro-phenyl)-4-pyridin-4-yl...)
Show SMILES Nc1nc(N)c(F)c(-c2cc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)c1F
Show InChI InChI=1S/C20H14F3N5/c21-12-3-1-11(2-4-12)18-13(10-5-7-26-8-6-10)9-14(27-18)15-16(22)19(24)28-20(25)17(15)23/h1-9,27H,(H4,24,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 microM ATP


Bioorg Med Chem Lett 12: 2109-12 (2002)


BindingDB Entry DOI: 10.7270/Q2610ZNX
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50116031
PNG
(3,5,6-Trifluoro-4-[4-(4-fluoro-phenyl)-5-pyridin-4...)
Show SMILES Nc1nc(F)c(F)c(-c2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)c1F
Show InChI InChI=1S/C19H11F4N5/c20-11-3-1-9(2-4-11)15-16(10-5-7-25-8-6-10)27-19(26-15)12-13(21)17(23)28-18(24)14(12)22/h1-8H,(H2,24,28)(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 microM ATP


Bioorg Med Chem Lett 12: 2109-12 (2002)


BindingDB Entry DOI: 10.7270/Q2610ZNX
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
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)
MAP kinase p38


(Mus musculus (mouse))
BDBM50116038
PNG
(4-(4-Benzofuran-2-yl-5-pyridin-4-yl-1H-imidazol-2-...)
Show SMILES Nc1nc(N)c(F)c(-c2nc(-c3cc4ccccc4o3)c([nH]2)-c2ccncc2)c1F
Show InChI InChI=1S/C21H14F2N6O/c22-15-14(16(23)20(25)29-19(15)24)21-27-17(10-5-7-26-8-6-10)18(28-21)13-9-11-3-1-2-4-12(11)30-13/h1-9H,(H,27,28)(H4,24,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 microM ATP


Bioorg Med Chem Lett 12: 2109-12 (2002)


BindingDB Entry DOI: 10.7270/Q2610ZNX
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50116029
PNG
(3,5-Difluoro-4-[4-(4-fluoro-phenyl)-5-pyridin-4-yl...)
Show SMILES Nc1nc(N)c(F)c(-c2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)c1F
Show InChI InChI=1S/C19H13F3N6/c20-11-3-1-9(2-4-11)15-16(10-5-7-25-8-6-10)27-19(26-15)12-13(21)17(23)28-18(24)14(12)22/h1-8H,(H,26,27)(H4,23,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 microM ATP


Bioorg Med Chem Lett 12: 2109-12 (2002)


BindingDB Entry DOI: 10.7270/Q2610ZNX
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50089127
PNG
(1-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-imidazol-...)
Show SMILES OC1(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C17H14FN3O/c18-13-3-1-11(2-4-13)14-15(12-5-9-19-10-6-12)21-16(20-14)17(22)7-8-17/h1-6,9-10,22H,7-8H2,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 20n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha MAP kinase


Bioorg Med Chem Lett 10: 1261-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5TMT
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)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
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
MAP kinase p38


(Mus musculus (mouse))
BDBM50089122
PNG
(1-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-imidazol-...)
Show SMILES OC1(CCCCCC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3O/c22-17-7-5-15(6-8-17)18-19(16-9-13-23-14-10-16)25-20(24-18)21(26)11-3-1-2-4-12-21/h5-10,13-14,26H,1-4,11-12H2,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 76n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha MAP kinase


Bioorg Med Chem Lett 10: 1261-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5TMT
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50089123
PNG
(1-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-imidazol-...)
Show SMILES OC1(CCCC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C19H18FN3O/c20-15-5-3-13(4-6-15)16-17(14-7-11-21-12-8-14)23-18(22-16)19(24)9-1-2-10-19/h3-8,11-12,24H,1-2,9-10H2,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 80n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha MAP kinase


Bioorg Med Chem Lett 10: 1261-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5TMT
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50116025
PNG
(2,3,5,6-Tetrafluoro-4-[4-(4-fluoro-phenyl)-5-pyrid...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1c(F)c(F)nc(F)c1F
Show InChI InChI=1S/C19H9F5N4/c20-11-3-1-9(2-4-11)15-16(10-5-7-25-8-6-10)27-19(26-15)12-13(21)17(23)28-18(24)14(12)22/h1-8H,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 90n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 microM ATP


Bioorg Med Chem Lett 12: 2109-12 (2002)


BindingDB Entry DOI: 10.7270/Q2610ZNX
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50089125
PNG
(4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-...)
Show SMILES CN1CCC(O)(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H21FN4O/c1-25-12-8-20(26,9-13-25)19-23-17(14-2-4-16(21)5-3-14)18(24-19)15-6-10-22-11-7-15/h2-7,10-11,26H,8-9,12-13H2,1H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 90n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha MAP kinase


Bioorg Med Chem Lett 10: 1261-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5TMT
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
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
MAP kinase p38


(Mus musculus (mouse))
BDBM50089130
PNG
(1-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-imidazol-...)
Show SMILES OC1(CCCCC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H20FN3O/c21-16-6-4-14(5-7-16)17-18(15-8-12-22-13-9-15)24-19(23-17)20(25)10-2-1-3-11-20/h4-9,12-13,25H,1-3,10-11H2,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 120n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha MAP kinase


Bioorg Med Chem Lett 10: 1261-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5TMT
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50089124
PNG
(4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-...)
Show SMILES CN1CCC(O)(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3O/c1-25-12-8-21(26,9-13-25)19-14-18(15-6-10-23-11-7-15)20(24-19)16-2-4-17(22)5-3-16/h2-7,10-11,14,24,26H,8-9,12-13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 130n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha MAP kinase


Bioorg Med Chem Lett 10: 1261-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5TMT
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50116028
PNG
(3,5-Difluoro-4-[4-(4-fluoro-phenyl)-5-pyridin-4-yl...)
Show SMILES Nc1nc(N)c(F)c(-c2nc(c(s2)-c2ccncc2)-c2ccc(F)cc2)c1F
Show InChI InChI=1S/C19H12F3N5S/c20-11-3-1-9(2-4-11)15-16(10-5-7-25-8-6-10)28-19(26-15)12-13(21)17(23)27-18(24)14(12)22/h1-8H,(H4,23,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 140n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 microM ATP


Bioorg Med Chem Lett 12: 2109-12 (2002)


BindingDB Entry DOI: 10.7270/Q2610ZNX
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50089132
PNG
(1-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-imidazol-...)
Show SMILES OC1(CCC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C18H16FN3O/c19-14-4-2-12(3-5-14)15-16(13-6-10-20-11-7-13)22-17(21-15)18(23)8-1-9-18/h2-7,10-11,23H,1,8-9H2,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 150n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha MAP kinase


Bioorg Med Chem Lett 10: 1261-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5TMT
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)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50089122
PNG
(1-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-imidazol-...)
Show SMILES OC1(CCCCCC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3O/c22-17-7-5-15(6-8-17)18-19(16-9-13-23-14-10-16)25-20(24-18)21(26)11-3-1-2-4-12-21/h5-10,13-14,26H,1-4,11-12H2,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 200n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1, COX-1


Bioorg Med Chem Lett 10: 1261-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5TMT
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50116039
PNG
(3,5-Difluoro-4-[4-(4-fluoro-phenyl)-5-pyridin-4-yl...)
Show SMILES Nc1nc(N)c(F)c(c1F)-n1nc(c(n1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C18H12F3N7/c19-11-3-1-9(2-4-11)14-15(10-5-7-24-8-6-10)27-28(26-14)16-12(20)17(22)25-18(23)13(16)21/h1-8H,(H4,22,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 210n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 microM ATP


Bioorg Med Chem Lett 12: 2109-12 (2002)


BindingDB Entry DOI: 10.7270/Q2610ZNX
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
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
MAP kinase p38


(Mus musculus (mouse))
BDBM50089126
PNG
(4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-oxazol-2-yl]...)
Show SMILES CN1CCC(O)(CC1)c1nc(c(o1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H20FN3O2/c1-24-12-8-20(25,9-13-24)19-23-17(14-2-4-16(21)5-3-14)18(26-19)15-6-10-22-11-7-15/h2-7,10-11,25H,8-9,12-13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 350n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha MAP kinase


Bioorg Med Chem Lett 10: 1261-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5TMT
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50116032
PNG
(3,5-Difluoro-4-[4-(4-fluoro-phenyl)-5-pyridin-4-yl...)
Show SMILES Nc1nc(N)c(F)c(-c2nc(c(o2)-c2ccncc2)-c2ccc(F)cc2)c1F
Show InChI InChI=1S/C19H12F3N5O/c20-11-3-1-9(2-4-11)15-16(10-5-7-25-8-6-10)28-19(26-15)12-13(21)17(23)27-18(24)14(12)22/h1-8H,(H4,23,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 400n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 microM ATP


Bioorg Med Chem Lett 12: 2109-12 (2002)


BindingDB Entry DOI: 10.7270/Q2610ZNX
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50089131
PNG
(4-(2-tert-Butyl-5-phenyl-1H-imidazol-4-yl)-pyridin...)
Show SMILES CC(C)(C)c1nc(c([nH]1)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C18H19N3/c1-18(2,3)17-20-15(13-7-5-4-6-8-13)16(21-17)14-9-11-19-12-10-14/h4-12H,1-3H3,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 450n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha MAP kinase


Bioorg Med Chem Lett 10: 1261-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5TMT
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50089128
PNG
(4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-thiazol-2-yl...)
Show SMILES CN1CCC(O)(CC1)c1nc(c(s1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H20FN3OS/c1-24-12-8-20(25,9-13-24)19-23-17(14-2-4-16(21)5-3-14)18(26-19)15-6-10-22-11-7-15/h2-7,10-11,25H,8-9,12-13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 450n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha MAP kinase


Bioorg Med Chem Lett 10: 1261-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5TMT
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50116034
PNG
(3,5-Difluoro-4-[5-pyridin-4-yl-4-(3-trifluoromethy...)
Show SMILES Nc1nc(N)c(F)c(-c2nc(c([nH]2)-c2cccc(c2)C(F)(F)F)-c2ccncc2)c1F
Show InChI InChI=1S/C20H13F5N6/c21-13-12(14(22)18(27)31-17(13)26)19-29-15(9-4-6-28-7-5-9)16(30-19)10-2-1-3-11(8-10)20(23,24)25/h1-8H,(H,29,30)(H4,26,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 470n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 microM ATP


Bioorg Med Chem Lett 12: 2109-12 (2002)


BindingDB Entry DOI: 10.7270/Q2610ZNX
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50089133
PNG
(2-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-imidazol-...)
Show SMILES CC(C)(O)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C17H16FN3O/c1-17(2,22)16-20-14(11-3-5-13(18)6-4-11)15(21-16)12-7-9-19-10-8-12/h3-10,22H,1-2H3,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 470n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha MAP kinase


Bioorg Med Chem Lett 10: 1261-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5TMT
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
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
MAP kinase p38


(Mus musculus (mouse))
BDBM50116027
PNG
(3,5-Difluoro-4-(4-furan-2-yl-5-pyridin-4-yl-1H-imi...)
Show SMILES Nc1nc(N)c(F)c(-c2nc(-c3ccco3)c([nH]2)-c2ccncc2)c1F
Show InChI InChI=1S/C17H12F2N6O/c18-11-10(12(19)16(21)25-15(11)20)17-23-13(8-3-5-22-6-4-8)14(24-17)9-2-1-7-26-9/h1-7H,(H,23,24)(H4,20,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 670n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 microM ATP


Bioorg Med Chem Lett 12: 2109-12 (2002)


BindingDB Entry DOI: 10.7270/Q2610ZNX
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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50089126
PNG
(4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-oxazol-2-yl]...)
Show SMILES CN1CCC(O)(CC1)c1nc(c(o1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H20FN3O2/c1-24-12-8-20(25,9-13-24)19-23-17(14-2-4-16(21)5-3-14)18(26-19)15-6-10-22-11-7-15/h2-7,10-11,25H,8-9,12-13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

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



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of EGFR kinase


Bioorg Med Chem Lett 10: 1261-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XS5TMT
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50116024
PNG
(4-[4-(4-Fluoro-phenyl)-thiazol-5-yl]-pyridine | CH...)
Show SMILES Fc1ccc(cc1)-c1ncsc1-c1ccncc1
Show InChI InChI=1S/C14H9FN2S/c15-12-3-1-10(2-4-12)13-14(18-9-17-13)11-5-7-16-8-6-11/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 800n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 microM ATP


Bioorg Med Chem Lett 12: 2109-12 (2002)


BindingDB Entry DOI: 10.7270/Q2610ZNX
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50116033
PNG
(2-(4-Fluorophenyl)-3-(pyridin-4-yl)-1H-pyrrole | 4...)
Show SMILES Fc1ccc(cc1)-c1[nH]ccc1-c1ccncc1
Show InChI InChI=1S/C15H11FN2/c16-13-3-1-12(2-4-13)15-14(7-10-18-15)11-5-8-17-9-6-11/h1-10,18H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 800n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 microM ATP


Bioorg Med Chem Lett 12: 2109-12 (2002)


BindingDB Entry DOI: 10.7270/Q2610ZNX
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
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
MAP kinase p38


(Mus musculus (mouse))
BDBM50053410
PNG
(4-(4-Fluorophenyl)-5-(pyridin-4-yl)-1H-imidazole |...)
Show SMILES Fc1ccc(cc1)-c1[nH]cnc1-c1ccncc1
Show InChI InChI=1S/C14H10FN3/c15-12-3-1-10(2-4-12)13-14(18-9-17-13)11-5-7-16-8-6-11/h1-9H,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 microM ATP


Bioorg Med Chem Lett 12: 2109-12 (2002)


BindingDB Entry DOI: 10.7270/Q2610ZNX
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 210 total )  |  Next  |  Last  >>
Jump to: