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BDBM50435192 CHEMBL2392924

SMILES: Cc1nc(nc(NC[C@H](NCCCCc2ccc(O)cc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1

InChI Key: InChIKey=LWZQVTFKRIYOLA-VWLOTQADSA-N

Data: 2 EC50

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 2 hits for monomerid = 50435192   
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))
BDBM50435192
PNG
(CHEMBL2392924)
Show SMILES Cc1nc(nc(NC[C@H](NCCCCc2ccc(O)cc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C28H29Cl2N5O/c1-19-26(30)28(35-27(34-19)24-15-12-22(29)17-32-24)33-18-25(21-8-3-2-4-9-21)31-16-6-5-7-20-10-13-23(36)14-11-20/h2-4,8-15,17,25,31,36H,5-7,16,18H2,1H3,(H,33,34,35)/t25-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 420n/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))
BDBM50435192
PNG
(CHEMBL2392924)
Show SMILES Cc1nc(nc(NC[C@H](NCCCCc2ccc(O)cc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C28H29Cl2N5O/c1-19-26(30)28(35-27(34-19)24-15-12-22(29)17-32-24)33-18-25(21-8-3-2-4-9-21)31-16-6-5-7-20-10-13-23(36)14-11-20/h2-4,8-15,17,25,31,36H,5-7,16,18H2,1H3,(H,33,34,35)/t25-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+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