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BDBM50435216 CHEMBL2392901

SMILES: COc1cccc(n1)-c1nc(C)c(Cl)c(NC[C@H](NC(=O)CCCN2CCNCC2)c2ccccc2)n1

InChI Key: InChIKey=BYIRXFDIJRLJDH-QFIPXVFZSA-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 = 50435216   
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))
BDBM50435216
PNG
(CHEMBL2392901)
Show SMILES COc1cccc(n1)-c1nc(C)c(Cl)c(NC[C@H](NC(=O)CCCN2CCNCC2)c2ccccc2)n1 |r|
Show InChI InChI=1S/C27H34ClN7O2/c1-19-25(28)27(34-26(31-19)21-10-6-12-24(33-21)37-2)30-18-22(20-8-4-3-5-9-20)32-23(36)11-7-15-35-16-13-29-14-17-35/h3-6,8-10,12,22,29H,7,11,13-18H2,1-2H3,(H,32,36)(H,30,31,34)/t22-/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 2.00E+4n/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))
BDBM50435216
PNG
(CHEMBL2392901)
Show SMILES COc1cccc(n1)-c1nc(C)c(Cl)c(NC[C@H](NC(=O)CCCN2CCNCC2)c2ccccc2)n1 |r|
Show InChI InChI=1S/C27H34ClN7O2/c1-19-25(28)27(34-26(31-19)21-10-6-12-24(33-21)37-2)30-18-22(20-8-4-3-5-9-20)32-23(36)11-7-15-35-16-13-29-14-17-35/h3-6,8-10,12,22,29H,7,11,13-18H2,1-2H3,(H,32,36)(H,30,31,34)/t22-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+4n/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