BDBM50004393 2-{4-[(4-Chloro-quinolin-6-ylmethyl)-ethyl-amino]-benzoylamino}-pentanedioic acid; compound with formic acid ; hydrate::CHEMBL93098

SMILES: CCN(Cc1ccc2nccc(Cl)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=LAHHZGCWMWTJOH-NRFANRHFSA-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 = 50004393   

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 (Mus musculus)	BDBM50004393 (2-{4-[(4-Chloro-quinolin-6-ylmethyl)-ethyl-amino]-...) Show SMILES CCN(Cc1ccc2nccc(Cl)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C24H24ClN3O5/c1-2-28(14-15-3-8-20-18(13-15)19(25)11-12-26-20)17-6-4-16(5-7-17)23(31)27-21(24(32)33)9-10-22(29)30/h3-8,11-13,21H,2,9-10,14H2,1H3,(H,27,31)(H,29,30)(H,32,33)/t21-/m0/s1	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	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against thymidylate synthase from L1210 mouse leukemia cells				J Med Chem 35: 2761-8 (1992) BindingDB Entry DOI: 10.7270/Q2K9385P
					More data for this Ligand-Target Pair