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BDBM179458 US9675697, Cpd. No. 4

SMILES: COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccnc3)c21

InChI Key: InChIKey=TVTBZUIZBVDDKA-UHFFFAOYSA-N

Data: 2 KI  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 = 179458   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM179458
PNG
(US9675697, Cpd. No. 4)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccnc3)c21
Show InChI InChI=1S/C22H18N4O2/c1-12-20(13(2)28-26-12)16-9-18-15(10-19(16)27-3)21-17(25-18)6-8-24-22(21)14-5-4-7-23-11-14/h4-11,25H,1-3H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
57 -9.88 349n/an/an/an/a7.525



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
The FAM labeled fluorescent probe (BRD-1F) was synthesized based on a known small-molecule BET bromodomain inhibitor. Kd values of BRD-1F to these th...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 2 domain(BRD4 BD2)


(Homo sapiens (Human))
BDBM179458
PNG
(US9675697, Cpd. No. 4)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccnc3)c21
Show InChI InChI=1S/C22H18N4O2/c1-12-20(13(2)28-26-12)16-9-18-15(10-19(16)27-3)21-17(25-18)6-8-24-22(21)14-5-4-7-23-11-14/h4-11,25H,1-3H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
232 -9.04 873n/an/an/an/a7.525



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
The FAM labeled fluorescent probe (BRD-1F) was synthesized based on a known small-molecule BET bromodomain inhibitor. Kd values of BRD-1F to these th...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair