BDBM50392654 CHEMBL2153709

SMILES: CN(CC1CCc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=UHSYJCZNRYUOHY-CVRLYYSRSA-N

Data: 2 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 = 50392654   

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
Methionine synthase (Homo sapiens (Human))	BDBM50392654 (CHEMBL2153709) Show SMILES CN(CC1CCc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H27N7O5/c1-28(10-12-4-7-14-17(24-12)18(22)27-21(23)26-14)13-5-2-11(3-6-13)19(31)25-15(20(32)33)8-9-16(29)30/h2-3,5-6,12,15,24H,4,7-10H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,22,23,26,27)/t12?,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of methionine synthase in human HL60 cells using L-homocysteine as substrate incubated for 3 hrs prior to substrate addition measured afte...				Eur J Med Chem 58: 228-36 (2012) Article DOI: 10.1016/j.ejmech.2012.09.027 BindingDB Entry DOI: 10.7270/Q2RX9D5C
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50392654 (CHEMBL2153709) Show SMILES CN(CC1CCc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H27N7O5/c1-28(10-12-4-7-14-17(24-12)18(22)27-21(23)26-14)13-5-2-11(3-6-13)19(31)25-15(20(32)33)8-9-16(29)30/h2-3,5-6,12,15,24H,4,7-10H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,22,23,26,27)/t12?,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human recombinant DHFR using dihydrofolate as substrate by spectrophotometric analysis				Eur J Med Chem 58: 228-36 (2012) Article DOI: 10.1016/j.ejmech.2012.09.027 BindingDB Entry DOI: 10.7270/Q2RX9D5C
					More data for this Ligand-Target Pair