BindingDB PrimarySearch

BDBM50367055 4-Aminofolic acid::4-Aminopteroic acid::AMINOPTERIN::Aminopteroylglutamic acid

SMILES: Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1

InChI Key: InChIKey=TVZGACDUOSZQKY-LBPRGKRZSA-N

Data: 8 KI 11 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50367055
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	0.00180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductase				J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	0.00230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of dihydrofolate reductase enzyme from mouse				J Med Chem 25: 1227-30 (1983) BindingDB Entry DOI: 10.7270/Q2WW7J72
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	0.00355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory effect on dihydrofolate reductase (DHFR) from L1210 cells at Inhibitory constant (n=3)				J Med Chem 29: 1080-7 (1986) BindingDB Entry DOI: 10.7270/Q2416XMQ
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against L1210 dihydrofolate reductase in rodent neoplastic cells				J Med Chem 25: 877-80 (1982) BindingDB Entry DOI: 10.7270/Q23F4Q6X
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductase				J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Dihydrofolate reductase at concentration ranged from 0.15-0.50 uM				J Med Chem 41: 5310-9 (1999) Article DOI: 10.1021/jm980477+ BindingDB Entry DOI: 10.7270/Q2542P85
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1A3 (Rattus norvegicus)	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MTX uptake in OAT-K1-expressing MDCK cells				J Pharmacol Exp Ther 293: 1034-9 (2000) BindingDB Entry DOI: 10.7270/Q2PK0HFQ
Kyoto University Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
Folylpoly-gamma-glutamate synthetase (Mus musculus)	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit Folyl-polyglutamate synthase from mouse liver				J Med Chem 29: 655-60 (1986) BindingDB Entry DOI: 10.7270/Q2RR1ZTR
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human dihydrofolate reductase(DHFR)				J Med Chem 37: 2167-74 (1994) BindingDB Entry DOI: 10.7270/Q2Q240W0
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase(DHFR) isolated from L1210 murine leukemia cells				J Med Chem 31: 763-8 (1988) BindingDB Entry DOI: 10.7270/Q24J0FPQ
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells				J Med Chem 31: 1332-7 (1988) BindingDB Entry DOI: 10.7270/Q2697454
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Tested for inhibition against purified Dihydrofolate reductase from L1210 murine leukemia cells				J Med Chem 31: 1338-44 (1988) BindingDB Entry DOI: 10.7270/Q22J6CFD
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Ability to inhibit purified Dihydrofolate reductase from human leukemic lymphoblasts was determined spectrophotometrically at 340 nM.				J Med Chem 34: 203-8 (1991) BindingDB Entry DOI: 10.7270/Q2D79C15
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Compound was evaluated for Dihydrofolate Reductase (DHFR) inhibition				J Med Chem 34: 227-34 (1991) BindingDB Entry DOI: 10.7270/Q28G8M9F
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase (DHFR) from mouse cells (L1210/R71).				J Med Chem 34: 574-9 (1991) BindingDB Entry DOI: 10.7270/Q2F1909F
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase (DHFR) from human cells (WI-L2/M4).				J Med Chem 34: 574-9 (1991) BindingDB Entry DOI: 10.7270/Q2F1909F
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human dihydrofolate reductase(DHFR)				J Med Chem 37: 2167-74 (1994) BindingDB Entry DOI: 10.7270/Q2Q240W0
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory concentration to inhibit the enzyme Dihydro Folate Reductase (DHFR) from murine L1210 leukemia cells.				J Med Chem 29: 1703-9 (1986) BindingDB Entry DOI: 10.7270/Q2PR7WJ0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50367055 (4-Aminofolic acid \| 4-Aminopteroic acid \| AMINOPTE...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit purified dihydrofolate reductase(DHFR) from L1210/R81 cells				J Med Chem 29: 655-60 (1986) BindingDB Entry DOI: 10.7270/Q2RR1ZTR
TBA Curated by ChEMBL					More data for this Ligand-Target Pair