BDBM50022833 (S)-2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid::2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid::CHEMBL91866

SMILES: Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1

InChI Key: InChIKey=MSTNYGQPCMXVAQ-UHFFFAOYSA-N

Data: 3 Kd

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 3 hits for monomerid = 50022833   

Target/Host (Institution)	Ligand	Target/Host 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	pH	Temp °C
Dihydrofolate reductase (Escherichia coli)	BDBM50022833 ((S)-2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pte...) Show SMILES Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	7.0	25
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50022833 ((S)-2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pte...) Show SMILES Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	60	n/a	n/a	n/a	7.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50022833 ((S)-2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pte...) Show SMILES Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	7.0	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 8.5				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
					More data for this Ligand-Target Pair