BDBM50377324 CHEMBL257162

SMILES: CCOC(=O)[C@@H]1CSC(N1C(=O)c1cn(CCCNC(=O)C(F)(F)F)nn1)c1ccccc1

InChI Key: InChIKey=DLBKGPAHWJRNIM-MYJWUSKBSA-N

Data: 1 KI  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 2 hits for monomerid = 50377324   

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
Probable flavin-dependent thymidylate synthase (Paramecium bursaria Chlorella virus 1)	BDBM50377324 (CHEMBL257162) Show SMILES CCOC(=O)[C@@H]1CSC(N1C(=O)c1cn(CCCNC(=O)C(F)(F)F)nn1)c1ccccc1 |w:8.28| Show InChI InChI=1S/C20H22F3N5O4S/c1-2-32-18(30)15-12-33-17(13-7-4-3-5-8-13)28(15)16(29)14-11-27(26-25-14)10-6-9-24-19(31)20(21,22)23/h3-5,7-8,11,15,17H,2,6,9-10,12H2,1H3,(H,24,31)/t15-,17?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Paris Curated by ChEMBL					Assay Description Inhibition of PBCV1 Thymidylate synthase X				Bioorg Med Chem Lett 18: 3628-31 (2008) Article DOI: 10.1016/j.bmcl.2008.04.080 BindingDB Entry DOI: 10.7270/Q2N87BNK
					More data for this Ligand-Target Pair
Probable flavin-dependent thymidylate synthase (Paramecium bursaria Chlorella virus 1)	BDBM50377324 (CHEMBL257162) Show SMILES CCOC(=O)[C@@H]1CSC(N1C(=O)c1cn(CCCNC(=O)C(F)(F)F)nn1)c1ccccc1 |w:8.28| Show InChI InChI=1S/C20H22F3N5O4S/c1-2-32-18(30)15-12-33-17(13-7-4-3-5-8-13)28(15)16(29)14-11-27(26-25-14)10-6-9-24-19(31)20(21,22)23/h3-5,7-8,11,15,17H,2,6,9-10,12H2,1H3,(H,24,31)/t15-,17?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Paris Curated by ChEMBL					Assay Description Inhibition of PBCV1 Thymidylate synthase X				Bioorg Med Chem Lett 18: 3628-31 (2008) Article DOI: 10.1016/j.bmcl.2008.04.080 BindingDB Entry DOI: 10.7270/Q2N87BNK
					More data for this Ligand-Target Pair