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BDBM401308 US10005756, Compound A79

SMILES: O[C@@]1(CCN(C1=O)c1cnc2[nH]cc(Cl)c2c1)C(=O)NCc1cc(F)cc(F)c1

InChI Key: InChIKey=RHDRMVDHQCJZDS-IBGZPJMESA-N

Data: 7 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 7 hits for monomerid = 401308   
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 2


(Homo sapiens (Human))
BDBM401308
PNG
(US10005756, Compound A79)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]cc(Cl)c2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H15ClF2N4O3/c20-15-9-24-16-14(15)6-13(8-23-16)26-2-1-19(29,18(26)28)17(27)25-7-10-3-11(21)5-12(22)4-10/h3-6,8-9,29H,1-2,7H2,(H,23,24)(H,25,27)/t19-/m0/s1
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US Patent
n/an/a 150n/an/an/an/an/an/a



Wyeth Research



Assay Description
The MetAP-2 activity is determined by coupling enzymatic reactions. The tripeptide Met-Arg-Ser (MAS) is employed as substrate. The methionine liberat...


Bioorg Med Chem 17: 7933-48 (2009)


BindingDB Entry DOI: 10.7270/Q2T72KSK
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM401308
PNG
(US10005756, Compound A79)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]cc(Cl)c2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H15ClF2N4O3/c20-15-9-24-16-14(15)6-13(8-23-16)26-2-1-19(29,18(26)28)17(27)25-7-10-3-11(21)5-12(22)4-10/h3-6,8-9,29H,1-2,7H2,(H,23,24)(H,25,27)/t19-/m0/s1
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n/an/a 92n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues) using Met-Ala-Ser as substrate and MnCl2 as co-facor preincubated fo...


J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM401308
PNG
(US10005756, Compound A79)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]cc(Cl)c2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H15ClF2N4O3/c20-15-9-24-16-14(15)6-13(8-23-16)26-2-1-19(29,18(26)28)17(27)25-7-10-3-11(21)5-12(22)4-10/h3-6,8-9,29H,1-2,7H2,(H,23,24)(H,25,27)/t19-/m0/s1
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n/an/a 92n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues) using Met-Ala-Ser as substrate and MnCl2 as co-facor preincubated fo...


J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM401308
PNG
(US10005756, Compound A79)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]cc(Cl)c2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H15ClF2N4O3/c20-15-9-24-16-14(15)6-13(8-23-16)26-2-1-19(29,18(26)28)17(27)25-7-10-3-11(21)5-12(22)4-10/h3-6,8-9,29H,1-2,7H2,(H,23,24)(H,25,27)/t19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MetAP1 (unknown origin)


J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM401308
PNG
(US10005756, Compound A79)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]cc(Cl)c2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H15ClF2N4O3/c20-15-9-24-16-14(15)6-13(8-23-16)26-2-1-19(29,18(26)28)17(27)25-7-10-3-11(21)5-12(22)4-10/h3-6,8-9,29H,1-2,7H2,(H,23,24)(H,25,27)/t19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay


J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM401308
PNG
(US10005756, Compound A79)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]cc(Cl)c2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H15ClF2N4O3/c20-15-9-24-16-14(15)6-13(8-23-16)26-2-1-19(29,18(26)28)17(27)25-7-10-3-11(21)5-12(22)4-10/h3-6,8-9,29H,1-2,7H2,(H,23,24)(H,25,27)/t19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MetAP1 (unknown origin)


J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM401308
PNG
(US10005756, Compound A79)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]cc(Cl)c2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H15ClF2N4O3/c20-15-9-24-16-14(15)6-13(8-23-16)26-2-1-19(29,18(26)28)17(27)25-7-10-3-11(21)5-12(22)4-10/h3-6,8-9,29H,1-2,7H2,(H,23,24)(H,25,27)/t19-/m0/s1
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay


J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
More data for this
Ligand-Target Pair