BDBM84601 Dansyl derivative, 5R

SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc2C[C@H](N(Cc2c1)S(=O)(=O)c1ccc(cc1N(=O)=O)C(F)(F)F)C(O)=O

InChI Key: InChIKey=CTDBLMPOWRNFCA-VWLOTQADSA-N

Data: 2 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 2 hits for monomerid = 84601   

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) (Lactobacillus casei)	BDBM84601 (Dansyl derivative, 5R) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc2C[C@H](N(Cc2c1)S(=O)(=O)c1ccc(cc1N(=O)=O)C(F)(F)F)C(O)=O |r| Show InChI InChI=1S/C29H24F3N3O9S2/c1-33(2)23-7-3-6-22-21(23)5-4-8-26(22)46(42,43)44-20-11-9-17-14-25(28(36)37)34(16-18(17)13-20)45(40,41)27-12-10-19(29(30,31)32)15-24(27)35(38)39/h3-13,15,25H,14,16H2,1-2H3,(H,36,37)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	5.50E+3	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 (TS) (Escherichia coli)	BDBM84601 (Dansyl derivative, 5R) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc2C[C@H](N(Cc2c1)S(=O)(=O)c1ccc(cc1N(=O)=O)C(F)(F)F)C(O)=O |r| Show InChI InChI=1S/C29H24F3N3O9S2/c1-33(2)23-7-3-6-22-21(23)5-4-8-26(22)46(42,43)44-20-11-9-17-14-25(28(36)37)34(16-18(17)13-20)45(40,41)27-12-10-19(29(30,31)32)15-24(27)35(38)39/h3-13,15,25H,14,16H2,1-2H3,(H,36,37)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	6.10E+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