BDBM50066924 6-Chloro-2-(6-chloro-benzo[1,3]dioxol-5-ylmethylsulfanyl)-pyrimidin-4-ylamine::CHEMBL339067

SMILES: Nc1cc(Cl)nc(SCc2cc3OCOc3cc2Cl)n1

InChI Key: InChIKey=QXNBUYBROYMKHT-UHFFFAOYSA-N

Data: 2 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 = 50066924   

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
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066924 (6-Chloro-2-(6-chloro-benzo[1,3]dioxol-5-ylmethylsu...) Show SMILES Nc1cc(Cl)nc(SCc2cc3OCOc3cc2Cl)n1 Show InChI InChI=1S/C12H9Cl2N3O2S/c13-7-2-9-8(18-5-19-9)1-6(7)4-20-12-16-10(14)3-11(15)17-12/h1-3H,4-5H2,(H2,15,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066924 (6-Chloro-2-(6-chloro-benzo[1,3]dioxol-5-ylmethylsu...) Show SMILES Nc1cc(Cl)nc(SCc2cc3OCOc3cc2Cl)n1 Show InChI InChI=1S/C12H9Cl2N3O2S/c13-7-2-9-8(18-5-19-9)1-6(7)4-20-12-16-10(14)3-11(15)17-12/h1-3H,4-5H2,(H2,15,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description inhibitory activity against HIV-1 reverse transcriptase (wild type				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair