BDBM50392649 CHEMBL2153712

SMILES: CC(=O)N(CC1CCc2nc(N)nc(N)c2N1C=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=RLSFCZKHGJOKFZ-LWKPJOBUSA-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 = 50392649   

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))	BDBM50392649 (CHEMBL2153712) Show SMILES CC(=O)N(CC1CCc2nc(N)nc(N)c2N1C=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H27N7O7/c1-12(32)29(10-15-6-7-16-19(30(15)11-31)20(24)28-23(25)27-16)14-4-2-13(3-5-14)21(35)26-17(22(36)37)8-9-18(33)34/h2-5,11,15,17H,6-10H2,1H3,(H,26,35)(H,33,34)(H,36,37)(H4,24,25,27,28)/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	1.73E+3	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))	BDBM50392649 (CHEMBL2153712) Show SMILES CC(=O)N(CC1CCc2nc(N)nc(N)c2N1C=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H27N7O7/c1-12(32)29(10-15-6-7-16-19(30(15)11-31)20(24)28-23(25)27-16)14-4-2-13(3-5-14)21(35)26-17(22(36)37)8-9-18(33)34/h2-5,11,15,17H,6-10H2,1H3,(H,26,35)(H,33,34)(H,36,37)(H4,24,25,27,28)/t15?,17-/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	>1.00E+5	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