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-UHFFFAOYSA-N

Data: 14 KI  46 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 60 hits for monomerid = 18771   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Mouse)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Mouse)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Mouse)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Mouse)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Rat)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	7.4	30
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli (strain K12))	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	7.4	30
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	220	n/a	n/a	n/a	n/a	7.4	30
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli (strain K12))	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	85	n/a	n/a	n/a	n/a	7.4	30
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli (strain K12))	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli (strain K12))	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	85	n/a	n/a	n/a	n/a	7.4	30
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli (strain K12))	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli (strain K12))	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Mouse)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM18771 (CHEMBL389051 | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dih...) Show SMILES Show InChI	GoogleScholar	UniChem		30	-10.1	n/a	n/a	n/a	n/a	n/a	7.0	20
TBA									Citation and Details
					More data for this Ligand-Target Pair