BDBM50440721 CHEMBL2431075

SMILES: C[C@H]([C@@H]1N=C(c2c(C)c(C)sc2-c2c(C)noc12)c1ccc(cc1)C#N)C(N)=O

InChI Key: InChIKey=AVHQENNJMVDDPS-ZMZPIMSZSA-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 = 50440721   

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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50440721 (CHEMBL2431075) Show SMILES C[C@H]([C@@H]1N=C(c2c(C)c(C)sc2-c2c(C)noc12)c1ccc(cc1)C#N)C(N)=O |r,c:3| Show InChI InChI=1S/C22H20N4O2S/c1-10-13(4)29-21-16(10)19(15-7-5-14(9-23)6-8-15)25-18(11(2)22(24)27)20-17(21)12(3)26-28-20/h5-8,11,18H,1-4H3,(H2,24,27)/t11-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA				ACS Med Chem Lett 4: 835-40 (2013) Article DOI: 10.1021/ml4001485 BindingDB Entry DOI: 10.7270/Q2DV1MB8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50440721 (CHEMBL2431075) Show SMILES C[C@H]([C@@H]1N=C(c2c(C)c(C)sc2-c2c(C)noc12)c1ccc(cc1)C#N)C(N)=O |r,c:3| Show InChI InChI=1S/C22H20N4O2S/c1-10-13(4)29-21-16(10)19(15-7-5-14(9-23)6-8-15)25-18(11(2)22(24)27)20-17(21)12(3)26-28-20/h5-8,11,18H,1-4H3,(H2,24,27)/t11-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs				ACS Med Chem Lett 4: 835-40 (2013) Article DOI: 10.1021/ml4001485 BindingDB Entry DOI: 10.7270/Q2DV1MB8
					More data for this Ligand-Target Pair