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BDBM17849 3-(2,2-dimethylpropanamido)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide::CHEMBL316308::pyridine-2-carboxylic acid inhibitor, 2

SMILES: CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc1nccs1

InChI Key: InChIKey=CAVCWRXFMNCBCM-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 17849   
Target
(Institution)
LigandTarget
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))
BDBM17849
PNG
(3-(2,2-dimethylpropanamido)-N-(1,3-thiazol-2-yl)py...)
Show SMILES CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
PDB
MMDB

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CHEMBL
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PC cid
PC sid
PDB
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MMDB
PDB
Article
PubMed
n/an/a 2.90E+3n/an/an/an/a7.522



Johns Hopkins University



Assay Description
The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM17849
PNG
(3-(2,2-dimethylpropanamido)-N-(1,3-thiazol-2-yl)py...)
Show SMILES CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
PDB
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PC cid
PC sid
PDB
UniChem

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AffyNet 
Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM17849
PNG
(3-(2,2-dimethylpropanamido)-N-(1,3-thiazol-2-yl)py...)
Show SMILES CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
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Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae


Citation and Details
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM17849
PNG
(3-(2,2-dimethylpropanamido)-N-(1,3-thiazol-2-yl)py...)
Show SMILES CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+5n/an/an/an/a7.522



Johns Hopkins University



Assay Description
The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...


Citation and Details
More data for this
Ligand-Target Pair