BDBM50405643 CHEMBL141576

SMILES: Nc1nc(N)c2cc(ccc2n1)N(CC=C)Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O

InChI Key: InChIKey=OEPBAOFLMFOFDM-UHFFFAOYSA-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 = 50405643   

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)	BDBM50405643 (CHEMBL141576) Show SMILES Nc1nc(N)c2cc(ccc2n1)N(CC=C)Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C24H26N6O5/c1-2-11-30(16-7-8-18-17(12-16)21(25)29-24(26)28-18)13-14-3-5-15(6-4-14)22(33)27-19(23(34)35)9-10-20(31)32/h2-8,12,19H,1,9-11,13H2,(H,27,33)(H,31,32)(H,34,35)(H4,25,26,28,29)	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	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibitory activity against thymidylate synthase isolated from L1210 leukemia cells				J Med Chem 31: 449-54 (1988) BindingDB Entry DOI: 10.7270/Q2DF6SD0
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405643 (CHEMBL141576) Show SMILES Nc1nc(N)c2cc(ccc2n1)N(CC=C)Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C24H26N6O5/c1-2-11-30(16-7-8-18-17(12-16)21(25)29-24(26)28-18)13-14-3-5-15(6-4-14)22(33)27-19(23(34)35)9-10-20(31)32/h2-8,12,19H,1,9-11,13H2,(H,27,33)(H,31,32)(H,34,35)(H4,25,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) obtained from human WIL2 cells				J Med Chem 31: 449-54 (1988) BindingDB Entry DOI: 10.7270/Q2DF6SD0
					More data for this Ligand-Target Pair