BDBM18050 2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid::CHEMBL34259::MTX::Methotrexate::cid_126941

SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=FBOZXECLQNJBKD-UHFFFAOYSA-N

Data: 48 KI  206 IC50  10 Kd  3 EC50  3 K_off  3 K_on

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 269 hits for monomerid = 18050   

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
Dihydrofolate reductase (Escherichia coli (strain K12))	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	30
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Dihydrofolate reductase (Bacillus anthracis)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	7.1	22
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Dihydrofolate reductase (Bacillus anthracis)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15.1	n/a	n/a	n/a	n/a	7.0	30
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Dihydrofolate reductase (Human)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	24.3	n/a	n/a	n/a	n/a	7.0	30
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Dihydrofolate reductase (Mycobacterium avium)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.10	n/a	n/a	n/a	n/a	7.0	30
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Dihydrofolate reductase (Escherichia coli (strain K12))	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.60	n/a	n/a	n/a	n/a	7.4	30
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Dihydrofolate reductase (Human)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	22	n/a	13.3	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Bacillus cereus (strain ATCC 14579 / DSM 31 / CCUG...)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	24	n/a	n/a	n/a	n/a	7.0	25
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Dihydrofolate reductase (Human)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	22	n/a	12.5	n/a	n/a	7.4	30
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					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli (strain K12))	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.60	n/a	n/a	n/a	n/a	7.4	30
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Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	30
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					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli (strain K12))	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Thymidylate synthase (Human)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli (strain K12))	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli (strain K12))	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.80	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)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	33	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))	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Bovine)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
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Nuclear receptor coactivator 3 (Human)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Tegument protein VP16 (HHV-1)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Nuclear receptor coactivator 1 (Human)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.59E+4	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)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	7.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bovine)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	80	n/a	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.90	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)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	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 (Mouse)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	35	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 (Lactobacillus casei)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	16	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 (Lactobacillus casei)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	16	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 (Lactobacillus casei)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	16	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 (Lactobacillus casei)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	16	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 (Lactobacillus casei)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	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 (Lactobacillus casei)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	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)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
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Trifunctional purine biosynthetic protein adenosine-3 (Mouse)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Mouse)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+4	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 (Lactobacillus casei)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	16	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 (Lactobacillus casei)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Chicken)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Rat)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Lactobacillus casei)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bovine)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mouse)	BDBM18050 (MTX | cid_126941 | Methotrexate | 2-[(4-{[(2,4-dia...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
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