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BDBM50435197 CHEMBL2392919

SMILES: Cc1nc(nc(NC[C@H](NCCc2ccccc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1

InChI Key: InChIKey=XHEBRDAHHAOHLN-QHCPKHFHSA-N

Data: 2 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50435197   
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
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM50435197
PNG
(CHEMBL2392919)
Show SMILES Cc1nc(nc(NC[C@H](NCCc2ccccc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C26H25Cl2N5/c1-18-24(28)26(33-25(32-18)22-13-12-21(27)16-30-22)31-17-23(20-10-6-3-7-11-20)29-15-14-19-8-4-2-5-9-19/h2-13,16,23,29H,14-15,17H2,1H3,(H,31,32,33)/t23-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 260n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435197
PNG
(CHEMBL2392919)
Show SMILES Cc1nc(nc(NC[C@H](NCCc2ccccc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C26H25Cl2N5/c1-18-24(28)26(33-25(32-18)22-13-12-21(27)16-30-22)31-17-23(20-10-6-3-7-11-20)29-15-14-19-8-4-2-5-9-19/h2-13,16,23,29H,14-15,17H2,1H3,(H,31,32,33)/t23-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair