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SMILES: COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3nc(nc3c2C(N)=O)-c2ccccc2Cl)cc(OC)c1

InChI Key: InChIKey=VLHKHLQNVJKAHG-UXHICEINSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50263121   
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 ZAP-70


(Homo sapiens (Human))
BDBM50263121
PNG
(CHEMBL472840 | cis-5-(2-Aminocyclohexylamino)-7-(3...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3nc(nc3c2C(N)=O)-c2ccccc2Cl)cc(OC)c1 |r|
Show InChI InChI=1S/C26H29ClN8O3/c1-37-15-11-14(12-16(13-15)38-2)30-24-21(22(29)36)25-32-23(17-7-3-4-8-18(17)27)34-35(25)26(33-24)31-20-10-6-5-9-19(20)28/h3-4,7-8,11-13,19-20,30H,5-6,9-10,28H2,1-2H3,(H2,29,36)(H,31,33)/t19-,20+/m1/s1
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Article
PubMed
n/an/a 97n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ZAP70


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50263121
PNG
(CHEMBL472840 | cis-5-(2-Aminocyclohexylamino)-7-(3...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3nc(nc3c2C(N)=O)-c2ccccc2Cl)cc(OC)c1 |r|
Show InChI InChI=1S/C26H29ClN8O3/c1-37-15-11-14(12-16(13-15)38-2)30-24-21(22(29)36)25-32-23(17-7-3-4-8-18(17)27)34-35(25)26(33-24)31-20-10-6-5-9-19(20)28/h3-4,7-8,11-13,19-20,30H,5-6,9-10,28H2,1-2H3,(H2,29,36)(H,31,33)/t19-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair