BDBM50524887 CHEMBL4446565

SMILES: Clc1cccc(OCCCC(=O)Nc2ncc(s2)C#N)c1

InChI Key: InChIKey=ZPCRELNDAGUJMQ-UHFFFAOYSA-N

Data: 2 EC50

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 = 50524887   

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
Human immunodeficiency virus type 1 Tat protein (Human immunodeficiency virus type 1 (isolate HXB2 ...)	BDBM50524887 (CHEMBL4446565) Show SMILES Clc1cccc(OCCCC(=O)Nc2ncc(s2)C#N)c1 Show InChI InChI=1S/C14H12ClN3O2S/c15-10-3-1-4-11(7-10)20-6-2-5-13(19)18-14-17-9-12(8-16)21-14/h1,3-4,7,9H,2,5-6H2,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute for Medical Research Curated by ChEMBL					Assay Description Activation of Tat-mediated HIV1 transcription in HEK293- FlpIn-FM cells harboring LTR driven CBR reporter co-expressing CMV driven CBG reporter asses...				J Med Chem 62: 5148-5175 (2019) Article DOI: 10.1021/acs.jmedchem.9b00462
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein (Human immunodeficiency virus type 1 (isolate HXB2 ...)	BDBM50524887 (CHEMBL4446565) Show SMILES Clc1cccc(OCCCC(=O)Nc2ncc(s2)C#N)c1 Show InChI InChI=1S/C14H12ClN3O2S/c15-10-3-1-4-11(7-10)20-6-2-5-13(19)18-14-17-9-12(8-16)21-14/h1,3-4,7,9H,2,5-6H2,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute for Medical Research Curated by ChEMBL					Assay Description Activation of Tat-mediated HIV1 transcription in J-Lat 10.6 cells harboring LTR driven GFP reporter co-expressing CMV driven RFP reporter assessed as...				J Med Chem 62: 5148-5175 (2019) Article DOI: 10.1021/acs.jmedchem.9b00462
					More data for this Ligand-Target Pair