null

SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc(Br)c(Br)s2)C(O)=O)cc1

InChI Key: InChIKey=PEHKVGPJOFOJHZ-FQEVSTJZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 36686   

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 (Lactobacillus casei)	BDBM36686 (Dansyl derivative, 9L | Dansyltyrosine deriviative...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc(Br)c(Br)s2)C(O)=O)cc1 |r| Show InChI InChI=1S/C25H22Br2N2O7S3/c1-29(2)21-7-3-6-18-17(21)5-4-8-22(18)39(34,35)36-16-11-9-15(10-12-16)13-20(25(30)31)28-38(32,33)23-14-19(26)24(27)37-23/h3-12,14,20,28H,13H2,1-2H3,(H,30,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia via Campi 183					Assay Description All compounds were screened for inhibitory activity against Lactobacillus casei thymidylate synthase (LcTS) and Escherichia coli thymidylate synthase...				Chembiochem 9: 779-90 (2008) Article DOI: 10.1002/cbic.200700524 BindingDB Entry DOI: 10.7270/Q2PG1Q89
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM36686 (Dansyl derivative, 9L | Dansyltyrosine deriviative...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc(Br)c(Br)s2)C(O)=O)cc1 |r| Show InChI InChI=1S/C25H22Br2N2O7S3/c1-29(2)21-7-3-6-18-17(21)5-4-8-22(18)39(34,35)36-16-11-9-15(10-12-16)13-20(25(30)31)28-38(32,33)23-14-19(26)24(27)37-23/h3-12,14,20,28H,13H2,1-2H3,(H,30,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.33E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia via Campi 183					Assay Description All compounds were screened for inhibitory activity against Lactobacillus casei thymidylate synthase (LcTS) and Escherichia coli thymidylate synthase...				Chembiochem 9: 779-90 (2008) Article DOI: 10.1002/cbic.200700524 BindingDB Entry DOI: 10.7270/Q2PG1Q89
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36686 (Dansyl derivative, 9L | Dansyltyrosine deriviative...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc(Br)c(Br)s2)C(O)=O)cc1 |r| Show InChI InChI=1S/C25H22Br2N2O7S3/c1-29(2)21-7-3-6-18-17(21)5-4-8-22(18)39(34,35)36-16-11-9-15(10-12-16)13-20(25(30)31)28-38(32,33)23-14-19(26)24(27)37-23/h3-12,14,20,28H,13H2,1-2H3,(H,30,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair