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BDBM50531161 CHEMBL4448724

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

InChI Key: InChIKey=FCQXUOXAHALHCG-IBGZPJMESA-N

Data: 2 KI  6 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 10 hits for monomerid = 50531161   
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))
BDBM50531161
PNG
(CHEMBL4448724)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-24-17(26)19(28)2-4-25(18(19)27)15-7-12-1-3-22-16(12)23-10-15/h1,3,5-8,10,28H,2,4,9H2,(H,22,23)(H,24,26)/t19-/m0/s1
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3.40n/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))
BDBM50531161
PNG
(CHEMBL4448724)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-24-17(26)19(28)2-4-25(18(19)27)15-7-12-1-3-22-16(12)23-10-15/h1,3,5-8,10,28H,2,4,9H2,(H,22,23)(H,24,26)/t19-/m0/s1
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PC sid
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3.40n/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))
BDBM50531161
PNG
(CHEMBL4448724)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-24-17(26)19(28)2-4-25(18(19)27)15-7-12-1-3-22-16(12)23-10-15/h1,3,5-8,10,28H,2,4,9H2,(H,22,23)(H,24,26)/t19-/m0/s1
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n/an/a 63n/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))
BDBM50531161
PNG
(CHEMBL4448724)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-24-17(26)19(28)2-4-25(18(19)27)15-7-12-1-3-22-16(12)23-10-15/h1,3,5-8,10,28H,2,4,9H2,(H,22,23)(H,24,26)/t19-/m0/s1
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n/an/a 18n/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))
BDBM50531161
PNG
(CHEMBL4448724)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-24-17(26)19(28)2-4-25(18(19)27)15-7-12-1-3-22-16(12)23-10-15/h1,3,5-8,10,28H,2,4,9H2,(H,22,23)(H,24,26)/t19-/m0/s1
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n/an/an/a 1.10n/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))
BDBM50531161
PNG
(CHEMBL4448724)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-24-17(26)19(28)2-4-25(18(19)27)15-7-12-1-3-22-16(12)23-10-15/h1,3,5-8,10,28H,2,4,9H2,(H,22,23)(H,24,26)/t19-/m0/s1
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n/an/an/a 1.10n/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))
BDBM50531161
PNG
(CHEMBL4448724)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-24-17(26)19(28)2-4-25(18(19)27)15-7-12-1-3-22-16(12)23-10-15/h1,3,5-8,10,28H,2,4,9H2,(H,22,23)(H,24,26)/t19-/m0/s1
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n/an/a 63n/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))
BDBM50531161
PNG
(CHEMBL4448724)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-24-17(26)19(28)2-4-25(18(19)27)15-7-12-1-3-22-16(12)23-10-15/h1,3,5-8,10,28H,2,4,9H2,(H,22,23)(H,24,26)/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
Aminopeptidase


(Homo sapiens (Human))
BDBM50531161
PNG
(CHEMBL4448724)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-24-17(26)19(28)2-4-25(18(19)27)15-7-12-1-3-22-16(12)23-10-15/h1,3,5-8,10,28H,2,4,9H2,(H,22,23)(H,24,26)/t19-/m0/s1
PDB
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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))
BDBM50531161
PNG
(CHEMBL4448724)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-24-17(26)19(28)2-4-25(18(19)27)15-7-12-1-3-22-16(12)23-10-15/h1,3,5-8,10,28H,2,4,9H2,(H,22,23)(H,24,26)/t19-/m0/s1
PDB
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n/an/a 18n/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