BDBM50397667 CHEMBL2181819

SMILES: COc1cc2c(Nc3ccccc3F)ccnc2cc1-c1c(C)noc1C

InChI Key: InChIKey=CVBSGMKDMQGNAG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50397667   

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))	BDBM50397667 (CHEMBL2181819) Show SMILES COc1cc2c(Nc3ccccc3F)ccnc2cc1-c1c(C)noc1C |(65.88,-5.66,;65.88,-7.2,;67.21,-7.97,;68.56,-7.2,;69.89,-7.97,;71.23,-7.2,;71.24,-5.66,;69.91,-4.89,;68.58,-5.66,;67.25,-4.9,;67.25,-3.35,;68.58,-2.58,;69.91,-3.36,;71.25,-2.59,;72.58,-7.98,;72.58,-9.53,;71.23,-10.29,;69.89,-9.53,;68.56,-10.29,;67.21,-9.53,;65.88,-10.29,;65.72,-11.82,;66.87,-12.85,;64.22,-12.14,;63.45,-10.81,;64.47,-9.67,;64.15,-8.16,)| Show InChI InChI=1S/C21H18FN3O2/c1-12-21(13(2)27-25-12)15-10-19-14(11-20(15)26-3)17(8-9-23-19)24-18-7-5-4-6-16(18)22/h4-11H,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to BRD4 assessed as inhibition of Alexa Fluor 488 binding after 60 mins by fluorescence anisotropic analysis				Bioorg Med Chem Lett 22: 2968-72 (2012) Article DOI: 10.1016/j.bmcl.2012.02.041 BindingDB Entry DOI: 10.7270/Q2JS9RKN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50397667 (CHEMBL2181819) Show SMILES COc1cc2c(Nc3ccccc3F)ccnc2cc1-c1c(C)noc1C |(65.88,-5.66,;65.88,-7.2,;67.21,-7.97,;68.56,-7.2,;69.89,-7.97,;71.23,-7.2,;71.24,-5.66,;69.91,-4.89,;68.58,-5.66,;67.25,-4.9,;67.25,-3.35,;68.58,-2.58,;69.91,-3.36,;71.25,-2.59,;72.58,-7.98,;72.58,-9.53,;71.23,-10.29,;69.89,-9.53,;68.56,-10.29,;67.21,-9.53,;65.88,-10.29,;65.72,-11.82,;66.87,-12.85,;64.22,-12.14,;63.45,-10.81,;64.47,-9.67,;64.15,-8.16,)| Show InChI InChI=1S/C21H18FN3O2/c1-12-21(13(2)27-25-12)15-10-19-14(11-20(15)26-3)17(8-9-23-19)24-18-7-5-4-6-16(18)22/h4-11H,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to human BRD2 assessed as inhibition of Alexa Fluor 488 binding after 60 mins by fluorescence anisotropic analysis				Bioorg Med Chem Lett 22: 2968-72 (2012) Article DOI: 10.1016/j.bmcl.2012.02.041 BindingDB Entry DOI: 10.7270/Q2JS9RKN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50397667 (CHEMBL2181819) Show SMILES COc1cc2c(Nc3ccccc3F)ccnc2cc1-c1c(C)noc1C |(65.88,-5.66,;65.88,-7.2,;67.21,-7.97,;68.56,-7.2,;69.89,-7.97,;71.23,-7.2,;71.24,-5.66,;69.91,-4.89,;68.58,-5.66,;67.25,-4.9,;67.25,-3.35,;68.58,-2.58,;69.91,-3.36,;71.25,-2.59,;72.58,-7.98,;72.58,-9.53,;71.23,-10.29,;69.89,-9.53,;68.56,-10.29,;67.21,-9.53,;65.88,-10.29,;65.72,-11.82,;66.87,-12.85,;64.22,-12.14,;63.45,-10.81,;64.47,-9.67,;64.15,-8.16,)| Show InChI InChI=1S/C21H18FN3O2/c1-12-21(13(2)27-25-12)15-10-19-14(11-20(15)26-3)17(8-9-23-19)24-18-7-5-4-6-16(18)22/h4-11H,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to BRD3 assessed as inhibition of Alexa Fluor 488 binding after 60 mins by fluorescence anisotropic analysis				Bioorg Med Chem Lett 22: 2968-72 (2012) Article DOI: 10.1016/j.bmcl.2012.02.041 BindingDB Entry DOI: 10.7270/Q2JS9RKN
					More data for this Ligand-Target Pair