BDBM111102 US9695179, 97

SMILES: Clc1ccc2[nH]c(=O)c(Sc3nnc(-c4cccs4)n3CC=C)c(-c3ccccc3)c2c1

InChI Key: InChIKey=JWKFFNPFJUUSST-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 111102   

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
BRD4-BD1-BD2 (Homo sapiens (Human))	BDBM111102 (US9695179, 97) Show SMILES Clc1ccc2[nH]c(=O)c(Sc3nnc(-c4cccs4)n3CC=C)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C24H17ClN4OS2/c1-2-12-29-22(19-9-6-13-31-19)27-28-24(29)32-21-20(15-7-4-3-5-8-15)17-14-16(25)10-11-18(17)26-23(21)30/h2-11,13-14H,1,12H2,(H,26,30)	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	25
ConverGene LLC US Patent					Assay Description The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...				US Patent US9695179 (2017) BindingDB Entry DOI: 10.7270/Q21G0JF6
					More data for this Ligand-Target Pair