BDBM18771 (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid::CB3717::CHEMBL389051::PDDF

SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1

InChI Key InChIKey=LTKHPMDRMUCUEB-IBGZPJMESA-N

Data  14 KI  46 IC50

PDB links: 27 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 18771   

TargetThymidylate synthase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Affinity DataKi:  7nMAssay Description:Compound was evaluated for the alpha-Adrenoceptor pA2 blocking activity in vitro in rabbit thoracic aortaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Affinity DataKi:  1.00E+3nMAssay Description:Binding affinity against thymidylate synthase from murine leukemia L1210More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Affinity DataKi:  2.00E+4nMAssay Description:Binding affinity against human enzyme thymidylate synthase derived from either HeLa or KB cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Affinity DataIC50:  37nMAssay Description:Ability to inhibit thymidylate synthase derived from human leukemia K562 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed