BDBM50020099 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-nonanedioic acid::CHEMBL283062

SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCCCCC(O)=O)C(O)=O

InChI Key: InChIKey=HBCSTDBQBDYRGS-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50020099   

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
Folylpoly-gamma-glutamate synthetase (Mus musculus)	BDBM50020099 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCCCCC(O)=O)C(O)=O Show InChI InChI=1S/C24H30N8O5/c1-32(13-15-12-27-21-19(28-15)20(25)30-24(26)31-21)16-10-8-14(9-11-16)22(35)29-17(23(36)37)6-4-2-3-5-7-18(33)34/h8-12,17H,2-7,13H2,1H3,(H,29,35)(H,33,34)(H,36,37)(H4,25,26,27,30,31)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+5	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 constant against purified Folyl-polyglutamate synthase from mouse liver				J Med Chem 31: 1338-44 (1988) BindingDB Entry DOI: 10.7270/Q22J6CFD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50020099 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCCCCC(O)=O)C(O)=O Show InChI InChI=1S/C24H30N8O5/c1-32(13-15-12-27-21-19(28-15)20(25)30-24(26)31-21)16-10-8-14(9-11-16)22(35)29-17(23(36)37)6-4-2-3-5-7-18(33)34/h8-12,17H,2-7,13H2,1H3,(H,29,35)(H,33,34)(H,36,37)(H4,25,26,27,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	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
					More data for this Ligand-Target Pair