BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2040 hits with Last Name = 'laufer' and Initial = 'sa'   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253154
PNG
(CHEMBL492265 | N-Cyclopropyl-4-methyl-3-(1-(2-meth...)
Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

DrugBank
MMDB
PDB
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin)


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50313107
PNG
(4-chloro-N-cyclopropyl-3-(1-(2,6-difluorophenyl)-1...)
Show SMILES Fc1cccc(F)c1-n1ncc2c(Nc3cc(ccc3Cl)C(=O)NC3CC3)nncc12 |(-6.01,-8.16,;-5.23,-9.48,;-5.98,-10.82,;-5.21,-12.15,;-3.66,-12.13,;-2.9,-10.79,;-1.37,-10.77,;-3.69,-9.47,;-2.93,-8.14,;-3.84,-6.9,;-2.95,-5.64,;-1.48,-6.1,;-.16,-5.33,;-.1,-3.79,;1.27,-3.07,;2.56,-3.9,;3.92,-3.18,;3.98,-1.64,;2.68,-.83,;1.32,-1.54,;.02,-.73,;5.22,-4.01,;5.16,-5.55,;6.59,-3.29,;7.89,-4.12,;8.6,-5.48,;9.43,-4.18,;1.18,-6.08,;1.19,-7.63,;-.14,-8.4,;-1.47,-7.64,)|
Show InChI InChI=1S/C21H15ClF2N6O/c22-14-7-4-11(21(31)27-12-5-6-12)8-17(14)28-20-13-9-26-30(18(13)10-25-29-20)19-15(23)2-1-3-16(19)24/h1-4,7-10,12H,5-6H2,(H,27,31)(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

MMDB
PDB
Article
PubMed
1n/an/an/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin)


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314780
PNG
(CHEMBL1091199 | N-Cyclopropyl-3-(1-(2,4-difluoroph...)
Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3ccc(F)cc3F)c2n(C)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C24H20F2N4O2/c1-13-3-4-14(22(31)28-17-6-7-17)9-18(13)19-10-15-12-27-30(23(15)29(2)24(19)32)21-8-5-16(25)11-20(21)26/h3-5,8-12,17H,6-7H2,1-2H3,(H,28,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

MMDB
PDB
Article
PubMed
2.30n/an/an/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin)


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418613
PNG
(CHEMBL1232887)
Show SMILES Cc1ccc(cc1-c1ccc(cn1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H23N3O2/c1-13-2-5-15(21(26)24-17-7-8-17)10-18(13)19-9-6-16(12-22-19)20(25)23-11-14-3-4-14/h2,5-6,9-10,12,14,17H,3-4,7-8,11H2,1H3,(H,23,25)(H,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

MMDB
PDB
Article
PubMed
9n/an/an/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin)


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265033
PNG
(CHEMBL522579 | N-cyclopropyl-2',6-dimethyl-4'-(5-m...)
Show SMILES Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H21N3O2/c1-12-4-5-15(20(25)22-17-7-8-17)11-19(12)18-9-6-16(10-13(18)2)21-24-23-14(3)26-21/h4-6,9-11,17H,7-8H2,1-3H3,(H,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

DrugBank
MMDB
PDB
Article
PubMed
10n/an/an/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin)


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263093
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

DrugBank
MMDB
PDB
Article
PubMed
12n/an/an/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin)


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597397
PNG
(CHEMBL5194755)
Show SMILES Brc1ccc(cc1)-c1ccc(o1)C(=O)Sc1nc2ccccc2s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597385
PNG
(CHEMBL5169323)
Show SMILES O=C(Sc1ncccn1)c1cc2ccccc2[nH]1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
14n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597384
PNG
(CHEMBL5191017)
Show SMILES Cc1nnc(SC(=O)c2ccc3ccccc3c2)s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
21n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597394
PNG
(CHEMBL5178465)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Sc1ncccn1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
21n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM50512856
PNG
(CHEMBL4454794)
Show SMILES ClCc1cnnn1CCOCCOCCOCCN=[N+]=[N-]
Show InChI InChI=1S/C11H19ClN6O3/c12-9-11-10-15-17-18(11)2-4-20-6-8-21-7-5-19-3-1-14-16-13/h10H,1-9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
24n/an/an/an/an/an/an/an/a



Eberhard Karls University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of MGMT (unknown origin)


J Med Chem 62: 5673-5724 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01153
BindingDB Entry DOI: 10.7270/Q2959MWN
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597386
PNG
(CHEMBL5207081)
Show SMILES Cc1ccnc(SC(=O)c2cc3ccccc3[nH]2)n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
33n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597382
PNG
(CHEMBL5207392)
Show SMILES Cc1nnc(SC(=O)c2ccc(o2)C#Cc2ccccc2)s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
34n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50555575
PNG
(C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...)
Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
34n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00213
BindingDB Entry DOI: 10.7270/Q2BG2T07
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597379
PNG
(CHEMBL5189863)
Show SMILES Cc1nnc(SC(=O)c2cc3ccccc3o2)s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
36n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50512858
PNG
(CHEMBL4445040)
Show SMILES COc1ncc(cc1C(=O)Oc1ccc(cc1)[N+]([O-])=O)-c1cc(-c2ncc(CN3CCN(CC3)C(C)C)o2)c2cn[nH]c2c1
Show InChI InChI=1S/C31H31N7O6/c1-19(2)37-10-8-36(9-11-37)18-24-16-33-30(43-24)25-12-20(14-28-27(25)17-34-35-28)21-13-26(29(42-3)32-15-21)31(39)44-23-6-4-22(5-7-23)38(40)41/h4-7,12-17,19H,8-11,18H2,1-3H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
40n/an/an/an/an/an/an/an/a



Eberhard Karls University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


J Med Chem 62: 5673-5724 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01153
BindingDB Entry DOI: 10.7270/Q2959MWN
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597399
PNG
(CHEMBL5178568)
Show SMILES O=C(Sc1nc2ccccc2s1)c1ccc(s1)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
42n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597375
PNG
(CHEMBL5204452)
Show SMILES CSc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
43n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597400
PNG
(CHEMBL5197891)
Show SMILES O=C(Sc1nc2ccccc2s1)c1ccc2ccccc2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
51n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597395
PNG
(CHEMBL5192654)
Show SMILES O=C(Sc1nc2ccccc2s1)c1cc2ccccc2[nH]1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
73n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597368
PNG
(CHEMBL5204130)
Show SMILES O=C(Sc1nncs1)c1cc2ccccc2[nH]1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
74n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597378
PNG
(CHEMBL5202104)
Show SMILES Cc1nnc(SC(=O)c2cc3ccccc3[nH]2)n1C(=O)c1cc2ccccc2[nH]1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
77n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597376
PNG
(CHEMBL5204064)
Show SMILES COc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
84n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50238177
PNG
(CHEMBL4098072)
Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C25H22FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h4-14H,1H2,2-3H3,(H,27,29)(H,28,32)(H,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
99n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00213
BindingDB Entry DOI: 10.7270/Q2BG2T07
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597377
PNG
(CHEMBL5207613)
Show SMILES Cc1nnc(SC(=O)c2cc3ccccc3[nH]2)o1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
119n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50303636
PNG
(4-(4-Phenylpyrimidin-2-ylamino)benzamide | CHEMBL5...)
Show SMILES NC(=O)c1ccc(Nc2nccc(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H14N4O/c18-16(22)13-6-8-14(9-7-13)20-17-19-11-10-15(21-17)12-4-2-1-3-5-12/h1-11H,(H2,18,22)(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) by time-resolved fluorescence assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50238177
PNG
(CHEMBL4098072)
Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C25H22FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h4-14H,1H2,2-3H3,(H,27,29)(H,28,32)(H,30,31)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
142n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00213
BindingDB Entry DOI: 10.7270/Q2BG2T07
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597398
PNG
(CHEMBL5181137)
Show SMILES O=C(Sc1nc2ccccc2s1)c1cc2ccccc2s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
161n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597372
PNG
(CHEMBL5188939)
Show SMILES Cc1nnc(SC(=O)c2ccc3cc[nH]c3c2)s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
186n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50512853
PNG
(CHEMBL4533255)
Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)N(CC#N)S(=O)(=O)c3ccc(cc3)C(=O)NCCCCCNC(=O)COc3cccc(c3)[C@@H](CCc3ccc(OC)c(OC)c3)OC(=O)[C@@H]3CCCCN3C(=O)C(=O)C(C)(C)CC)[C@@]1([H])NC(=O)N2 |r|
Show InChI InChI=1S/C56H73N7O13S2/c1-6-56(2,3)51(66)53(68)62-31-13-10-17-43(62)54(69)76-44(26-20-37-21-27-45(73-4)46(33-37)74-5)39-15-14-16-40(34-39)75-35-48(64)58-29-11-7-12-30-59-52(67)38-22-24-41(25-23-38)78(71,72)63(32-28-57)49(65)19-9-8-18-47-50-42(36-77-47)60-55(70)61-50/h14-16,21-25,27,33-34,42-44,47,50H,6-13,17-20,26,29-32,35-36H2,1-5H3,(H,58,64)(H,59,67)(H2,60,61,70)/t42-,43-,44+,47-,50-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Eberhard Karls University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FKBP12 after 24 hrs by MS/MS analysis


J Med Chem 62: 5673-5724 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01153
BindingDB Entry DOI: 10.7270/Q2959MWN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50238177
PNG
(CHEMBL4098072)
Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C25H22FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h4-14H,1H2,2-3H3,(H,27,29)(H,28,32)(H,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
224n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00213
BindingDB Entry DOI: 10.7270/Q2BG2T07
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM25980
PNG
(BMCL18324 Compound 3 | CHEMBL270164 | N-(3-cyanoph...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C24H18N4O2/c1-15-6-7-20(24-28-27-16(2)30-24)13-22(15)18-8-10-19(11-9-18)23(29)26-21-5-3-4-17(12-21)14-25/h3-13H,1-2H3,(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

DrugBank
PDB
Article
PubMed
240n/an/an/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin)


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597373
PNG
(CHEMBL5199191)
Show SMILES Cc1nnc(SC(=O)c2cccc3cc[nH]c23)s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
250n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
256n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00213
BindingDB Entry DOI: 10.7270/Q2BG2T07
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50555575
PNG
(C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...)
Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
271n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00213
BindingDB Entry DOI: 10.7270/Q2BG2T07
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597374
PNG
(CHEMBL5199531)
Show SMILES Cc1nnc(SC(=O)c2cc3ccccc3n2C)s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
295n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597371
PNG
(CHEMBL5173920)
Show SMILES Cc1nnc(SC(=O)c2ccc3[nH]ccc3c2)s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
393n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
434n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00213
BindingDB Entry DOI: 10.7270/Q2BG2T07
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50555575
PNG
(C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...)
Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
437n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00213
BindingDB Entry DOI: 10.7270/Q2BG2T07
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM25981
PNG
(BMCL18324 Compound 17 | CHEMBL273158 | D3RKN_78 | ...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

DrugBank
MMDB
PDB
Article
PubMed
480n/an/an/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin)


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597383
PNG
(CHEMBL5192027)
Show SMILES Cc1nnc(SC(=O)c2ccc([nH]2)-c2ccccc2)s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
605n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597396
PNG
(CHEMBL5186708)
Show SMILES O=C(Sc1nc2ccccc2s1)c1ccc(o1)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
612n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50597387
PNG
(CHEMBL5192248)
Show SMILES Cc1cc(C)nc(SC(=O)c2cc3ccccc3[nH]2)n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
773n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50512852
PNG
(CHEMBL4446645)
Show SMILES COc1ncc(cc1C(=O)Oc1ccc(C)cc1C)-c1cc(-c2ncc(CN3CCN(CC3)C(C)C)o2)c2cn[nH]c2c1
Show InChI InChI=1S/C33H36N6O4/c1-20(2)39-10-8-38(9-11-39)19-25-17-35-32(42-25)26-13-23(15-29-28(26)18-36-37-29)24-14-27(31(41-5)34-16-24)33(40)43-30-7-6-21(3)12-22(30)4/h6-7,12-18,20H,8-11,19H2,1-5H3,(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.80E+3n/an/an/an/an/an/an/an/a



Eberhard Karls University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


J Med Chem 62: 5673-5724 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01153
BindingDB Entry DOI: 10.7270/Q2959MWN
More data for this
Ligand-Target Pair
m7GpppX diphosphatase


(Homo sapiens (Human))
BDBM50512855
PNG
(CHEMBL4465809)
Show SMILES Nc1nc(N)c2c(OCc3ccc(cc3)S(F)(=O)=O)cccc2n1
Show InChI InChI=1S/C15H13FN4O3S/c16-24(21,22)10-6-4-9(5-7-10)8-23-12-3-1-2-11-13(12)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<0.0200n/an/an/an/an/an/a



Eberhard Karls University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of DcpS (unknown origin) using m7GpppA as substrate by ELISA


J Med Chem 62: 5673-5724 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01153
BindingDB Entry DOI: 10.7270/Q2959MWN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50532250
PNG
(CHEMBL4444875)
Show SMILES Cn1c(Nc2cc(CNC(=O)C3(CC3)C(F)(F)F)ccc2Cl)nc2cc(C(=O)NCC3CC3)c(OCC(F)F)cc12
Show InChI InChI=1S/C27H27ClF5N5O3/c1-38-20-10-21(41-13-22(29)30)16(23(39)34-11-14-2-3-14)9-19(20)37-25(38)36-18-8-15(4-5-17(18)28)12-35-24(40)26(6-7-26)27(31,32)33/h4-5,8-10,14,22H,2-3,6-7,11-13H2,1H3,(H,34,39)(H,35,40)(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



University Jena

Curated by ChEMBL


Assay Description
Inhibition of human mPGES-1 expressed in CHO-K1 cells using PGH2 as substrate assessed as PGE2 formation preincubated for 20 mins followed by additio...


J Med Chem 59: 5970-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01750
BindingDB Entry DOI: 10.7270/Q2902793
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50532250
PNG
(CHEMBL4444875)
Show SMILES Cn1c(Nc2cc(CNC(=O)C3(CC3)C(F)(F)F)ccc2Cl)nc2cc(C(=O)NCC3CC3)c(OCC(F)F)cc12
Show InChI InChI=1S/C27H27ClF5N5O3/c1-38-20-10-21(41-13-22(29)30)16(23(39)34-11-14-2-3-14)9-19(20)37-25(38)36-18-8-15(4-5-17(18)28)12-35-24(40)26(6-7-26)27(31,32)33/h4-5,8-10,14,22H,2-3,6-7,11-13H2,1H3,(H,34,39)(H,35,40)(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



University Jena

Curated by ChEMBL


Assay Description
Inhibition of human mPGES-1 expressed in CHO-K1 cells using PGH2 as substrate assessed as PGE2 formation preincubated for 20 mins followed by additio...


J Med Chem 59: 5970-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01750
BindingDB Entry DOI: 10.7270/Q2902793
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241077
PNG
(CHEMBL4060815)
Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5cccc(F)c5)c(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C30H22F3N3O3/c1-34-29(38)19-8-6-16-5-7-17-12-21(9-10-22(17)28(37)23(16)13-19)35-26-15-27(25(33)14-24(26)32)36-30(39)18-3-2-4-20(31)11-18/h2-4,6,8-15,35H,5,7H2,1H3,(H,34,38)(H,36,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA


J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM202553
PNG
((E/Z)-2-cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidaz...)
Show SMILES CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N
Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.127n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
A commercial assay by Reaction Biology Corp.


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50274586
PNG
(CHEMBL4128181)
Show SMILES CN(C)C(=O)C(=Cc1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)C#N
Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 0.130n/an/an/an/an/an/a



Eberhard Karls University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 using GEEEEYFELVKKKK as substrate in presence of 10 uM [gamma33P]ATP by radiometric method


J Med Chem 61: 5350-5366 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00571
BindingDB Entry DOI: 10.7270/Q2QN6988
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Displayed 1 to 50 (of 2040 total )  |  Next  |  Last  >>
Jump to: