BDBM50426881 CHEMBL2323386

SMILES: Clc1c(sc2ccccc12)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23

InChI Key: InChIKey=DEHAPWWKWFCWSE-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50426881   

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 (TS) (Escherichia coli)	BDBM50426881 (CHEMBL2323386) Show SMILES Clc1c(sc2ccccc12)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C21H10ClNO4S/c22-17-12-5-1-2-7-15(12)28-18(17)19(24)23-11-8-10-4-3-6-13-16(10)14(9-11)21(26)27-20(13)25/h1-9H,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli thymidylate synthase A				Bioorg Med Chem Lett 23: 663-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.117 BindingDB Entry DOI: 10.7270/Q27W6DHQ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50426881 (CHEMBL2323386) Show SMILES Clc1c(sc2ccccc12)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C21H10ClNO4S/c22-17-12-5-1-2-7-15(12)28-18(17)19(24)23-11-8-10-4-3-6-13-16(10)14(9-11)21(26)27-20(13)25/h1-9H,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human DHFR				Bioorg Med Chem Lett 23: 663-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.117 BindingDB Entry DOI: 10.7270/Q27W6DHQ
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50426881 (CHEMBL2323386) Show SMILES Clc1c(sc2ccccc12)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C21H10ClNO4S/c22-17-12-5-1-2-7-15(12)28-18(17)19(24)23-11-8-10-4-3-6-13-16(10)14(9-11)21(26)27-20(13)25/h1-9H,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>4.11E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase A				Bioorg Med Chem Lett 23: 663-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.117 BindingDB Entry DOI: 10.7270/Q27W6DHQ
					More data for this Ligand-Target Pair