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BDBM401307 US10005756, Compound A78

SMILES: O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1

InChI Key:

Data: 2 KI  7 IC50  2 Kd

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 11 hits for monomerid = 401307   
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))
BDBM401307
PNG
(US10005756, Compound A78)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
PDB
MMDB

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Article
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0.900n/an/an/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...


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))
BDBM401307
PNG
(US10005756, Compound A78)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
PDB
MMDB

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PC sid
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Article
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0.900n/an/an/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...


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))
BDBM401307
PNG
(US10005756, Compound A78)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
PDB
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Article
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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))
BDBM401307
PNG
(US10005756, Compound A78)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
PDB
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Article
PubMed
n/an/a 87n/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))
BDBM401307
PNG
(US10005756, Compound A78)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
PDB
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n/an/a 55n/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
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM401307
PNG
(US10005756, Compound A78)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
PDB
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PC sid
UniChem
Article
PubMed
n/an/a 87n/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))
BDBM401307
PNG
(US10005756, Compound A78)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
PDB
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US Patent
n/an/a 91n/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
Aminopeptidase


(Homo sapiens (Human))
BDBM401307
PNG
(US10005756, Compound A78)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
PDB
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PC sid
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Article
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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))
BDBM401307
PNG
(US10005756, Compound A78)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 55n/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
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM401307
PNG
(US10005756, Compound A78)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.880n/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...


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))
BDBM401307
PNG
(US10005756, Compound A78)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
PDB
MMDB

Reactome pathway
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.880n/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...


J Med Chem 62: 11119-11134 (2019)


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