BDBM50392660 CHEMBL2153706

SMILES: Nc1nc(N)c2N(CC=C)C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CCc2n1

InChI Key: InChIKey=PFMYSPVFKUTVOH-LWKPJOBUSA-N

Data: 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 1 hit for monomerid = 50392660   

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))	BDBM50392660 (CHEMBL2153706) Show SMILES Nc1nc(N)c2N(CC=C)C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CCc2n1 |r| Show InChI InChI=1S/C23H29N7O5/c1-2-11-30-15(7-8-16-19(30)20(24)29-23(25)28-16)12-26-14-5-3-13(4-6-14)21(33)27-17(22(34)35)9-10-18(31)32/h2-6,15,17,26H,1,7-12H2,(H,27,33)(H,31,32)(H,34,35)(H4,24,25,28,29)/t15?,17-/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	2.78E+4	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
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