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BDBM50201697 CHEMBL3943181

SMILES: N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1nc2ccccc2[nH]1

InChI Key: InChIKey=LZQQEGBCKOIYIP-WDEREUQCSA-N

Data: 4 IC50

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 4 hits for monomerid = 50201697   
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 SYK


(Homo sapiens (Human))
BDBM50201697
PNG
(CHEMBL3943181)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C18H21N7O/c19-10-5-1-2-6-11(10)22-14-9-21-15(17(20)26)16(25-14)18-23-12-7-3-4-8-13(12)24-18/h3-4,7-11H,1-2,5-6,19H2,(H2,20,26)(H,22,25)(H,23,24)/t10-,11+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human SYK (1 to 635 end residues) expressed in baculovirus expression system preincubated for 10 mins followed b...


ACS Med Chem Lett 7: 1151-1155 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR
More data for this
Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50201697
PNG
(CHEMBL3943181)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C18H21N7O/c19-10-5-1-2-6-11(10)22-14-9-21-15(17(20)26)16(25-14)18-23-12-7-3-4-8-13(12)24-18/h3-4,7-11H,1-2,5-6,19H2,(H2,20,26)(H,22,25)(H,23,24)/t10-,11+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of TSSK3 (unknown origin)


ACS Med Chem Lett 7: 1151-1155 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50201697
PNG
(CHEMBL3943181)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C18H21N7O/c19-10-5-1-2-6-11(10)22-14-9-21-15(17(20)26)16(25-14)18-23-12-7-3-4-8-13(12)24-18/h3-4,7-11H,1-2,5-6,19H2,(H2,20,26)(H,22,25)(H,23,24)/t10-,11+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human LRRK2 (970 to 2527 residues) expressed in baculovirus


ACS Med Chem Lett 7: 1151-1155 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50201697
PNG
(CHEMBL3943181)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C18H21N7O/c19-10-5-1-2-6-11(10)22-14-9-21-15(17(20)26)16(25-14)18-23-12-7-3-4-8-13(12)24-18/h3-4,7-11H,1-2,5-6,19H2,(H2,20,26)(H,22,25)(H,23,24)/t10-,11+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant full length human CHK2 expressed in baculovirus


ACS Med Chem Lett 7: 1151-1155 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR
More data for this
Ligand-Target Pair