BDBM50165444 2-Amino-5-(4-bromo-3-nitro-phenylsulfanyl)-6-methyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one::CHEMBL195355

SMILES: Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)c(c1)[N+]([O-])=O

InChI Key: InChIKey=ZLVSSSHUMLPVPW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50165444   

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
Dihydrofolate reductase (Escherichia coli-Mycobacterium avium)	BDBM50165444 (2-Amino-5-(4-bromo-3-nitro-phenylsulfanyl)-6-methy...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H10BrN5O3S/c1-5-10(9-11(16-5)17-13(15)18-12(9)20)23-6-2-3-7(14)8(4-6)19(21)22/h2-4H,1H3,(H4,15,16,17,18,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50165444 (2-Amino-5-(4-bromo-3-nitro-phenylsulfanyl)-6-methy...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H10BrN5O3S/c1-5-10(9-11(16-5)17-13(15)18-12(9)20)23-6-2-3-7(14)8(4-6)19(21)22/h2-4H,1H3,(H4,15,16,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against human thymidylate synthase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50165444 (2-Amino-5-(4-bromo-3-nitro-phenylsulfanyl)-6-methy...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H10BrN5O3S/c1-5-10(9-11(16-5)17-13(15)18-12(9)20)23-6-2-3-7(14)8(4-6)19(21)22/h2-4H,1H3,(H4,15,16,17,18,20)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Escherichia coli thymidylate synthase				Bioorg Med Chem Lett 15: 2225-30 (2005) Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH
					More data for this Ligand-Target Pair