BDBM50543848 CHEMBL4642637

SMILES: CC(=O)N(CCCc1cc2c(nc(N)[nH]c2=O)[nH]1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=DMNZBKJKYWYHAB-KRWDZBQOSA-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 = 50543848   

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
Thymidylate synthase/GAR transformylase/AICAR transformylase (Homo sapiens (Human))	BDBM50543848 (CHEMBL4642637) Show SMILES CC(=O)N(CCCc1cc2c(nc(N)[nH]c2=O)[nH]1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H26N6O7/c1-12(30)29(10-2-3-14-11-16-19(25-14)27-23(24)28-21(16)34)15-6-4-13(5-7-15)20(33)26-17(22(35)36)8-9-18(31)32/h4-7,11,17H,2-3,8-10H2,1H3,(H,26,33)(H,31,32)(H,35,36)(H4,24,25,27,28,34)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of GARFTase in human KB cells expressing RFC/FRalpha/PCFT assessed as reduction in cell growth after 96 hrs in presence of folic acid by C...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Thymidylate synthase/GAR transformylase/AICAR transformylase (Homo sapiens (Human))	BDBM50543848 (CHEMBL4642637) Show SMILES CC(=O)N(CCCc1cc2c(nc(N)[nH]c2=O)[nH]1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H26N6O7/c1-12(30)29(10-2-3-14-11-16-19(25-14)27-23(24)28-21(16)34)15-6-4-13(5-7-15)20(33)26-17(22(35)36)8-9-18(31)32/h4-7,11,17H,2-3,8-10H2,1H3,(H,26,33)(H,31,32)(H,35,36)(H4,24,25,27,28,34)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of GARFTase in human KB cells expressing RFC/FRalpha/PCFT assessed as reduction in cell growth after 96 hrs by Cell-Titer Blue assay				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair