BDBM50524878 CHEMBL4583543

SMILES: Cc1cnc(NC(=O)CCCOc2ccccc2)s1

InChI Key: InChIKey=MWHQQWNHUURCGY-UHFFFAOYSA-N

Data: 2 IC50  3 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 5 hits for monomerid = 50524878   

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 ...)	BDBM50524878 (CHEMBL4583543) Show SMILES Cc1cnc(NC(=O)CCCOc2ccccc2)s1 Show InChI InChI=1S/C14H16N2O2S/c1-11-10-15-14(19-11)16-13(17)8-5-9-18-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.90E+4	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.RV cells harboring LTR driven CBG reporter co-expressing CMV driven CBR reporter assess...				J Med Chem 62: 5148-5175 (2019) Article DOI: 10.1021/acs.jmedchem.9b00462
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50524878 (CHEMBL4583543) Show SMILES Cc1cnc(NC(=O)CCCOc2ccccc2)s1 Show InChI InChI=1S/C14H16N2O2S/c1-11-10-15-14(19-11)16-13(17)8-5-9-18-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 1 (unknown origin) using H4 peptide as substrate pre-incubated for 30 mins followed by substrate addition a...				J Med Chem 62: 5148-5175 (2019) Article DOI: 10.1021/acs.jmedchem.9b00462
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50524878 (CHEMBL4583543) Show SMILES Cc1cnc(NC(=O)CCCOc2ccccc2)s1 Show InChI InChI=1S/C14H16N2O2S/c1-11-10-15-14(19-11)16-13(17)8-5-9-18-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 2 (unknown origin) using H4 peptide as substrate pre-incubated for 30 mins followed by substrate addition a...				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 ...)	BDBM50524878 (CHEMBL4583543) Show SMILES Cc1cnc(NC(=O)CCCOc2ccccc2)s1 Show InChI InChI=1S/C14H16N2O2S/c1-11-10-15-14(19-11)16-13(17)8-5-9-18-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	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
Human immunodeficiency virus type 1 Tat protein (Human immunodeficiency virus type 1 (isolate HXB2 ...)	BDBM50524878 (CHEMBL4583543) Show SMILES Cc1cnc(NC(=O)CCCOc2ccccc2)s1 Show InChI InChI=1S/C14H16N2O2S/c1-11-10-15-14(19-11)16-13(17)8-5-9-18-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.40E+4	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