new BindingDB logo
myBDB logout

BDBM50097393 CHEMBL3586447

SMILES: Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O

InChI Key: InChIKey=PTHVKCSYXICMAR-UHFFFAOYSA-N

Data: 16 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50097393   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of BTK in human Raji cells after 30 mins by HTRF assay


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens)
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK1 by LanthaScreen Binding assay


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ALK2 by LanthaScreen Binding assay


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 412n/an/an/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of Lck (unknown origin)


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/an/an/a 28n/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of BTK autophosphorylation in human Raji cells after 30 mins by Phos-Y223 Btk HTRF assay


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
SRC


(Homo sapiens (Human))
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Fgr


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens)
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tec


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens)
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Itk


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Btk


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BMX


(Homo sapiens (human))
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Bmx


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Blk


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Frk


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens)
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Hck


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LynA


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LynB


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TNK2 by LanthaScreen Binding assay


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair