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SMILES: CNC(=O)N1CCn2c(C1)c(nc2C1CC(F)(F)C1)-c1c(F)ccc2cc(ncc12)-c1cnc(C)s1

InChI Key:

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 = 511397   
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 4 [49-170]


(Homo sapiens (Human))
BDBM511397
PNG
(3-(3,3- difluorocyclobutyl)-N- methyl-1-(3-(2- met...)
Show SMILES CNC(=O)N1CCn2c(C1)c(nc2C1CC(F)(F)C1)-c1c(F)ccc2cc(ncc12)-c1cnc(C)s1 |(-5.55,-.05,;-4.22,.72,;-2.89,-.05,;-2.89,-1.59,;-1.55,.72,;-1.55,2.26,;-.22,3.03,;1.11,2.26,;1.11,.72,;-.22,-.05,;2.58,.25,;3.48,1.49,;2.58,2.74,;2.98,4.23,;4.31,5,;3.54,6.33,;3.14,7.82,;4.87,7.1,;2.21,5.56,;2.98,-1.24,;4.47,-1.64,;5.55,-.55,;4.86,-3.13,;3.77,-4.22,;2.29,-3.82,;1.2,-4.91,;-.29,-4.51,;-.69,-3.02,;.4,-1.93,;1.89,-2.33,;-1.38,-5.6,;-1.14,-7.12,;-2.51,-7.82,;-3.6,-6.73,;-5.09,-7.13,;-2.9,-5.36,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.54E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein [1081-1197]


(Homo sapiens (Human))
BDBM511397
PNG
(3-(3,3- difluorocyclobutyl)-N- methyl-1-(3-(2- met...)
Show SMILES CNC(=O)N1CCn2c(C1)c(nc2C1CC(F)(F)C1)-c1c(F)ccc2cc(ncc12)-c1cnc(C)s1 |(-5.55,-.05,;-4.22,.72,;-2.89,-.05,;-2.89,-1.59,;-1.55,.72,;-1.55,2.26,;-.22,3.03,;1.11,2.26,;1.11,.72,;-.22,-.05,;2.58,.25,;3.48,1.49,;2.58,2.74,;2.98,4.23,;4.31,5,;3.54,6.33,;3.14,7.82,;4.87,7.1,;2.21,5.56,;2.98,-1.24,;4.47,-1.64,;5.55,-.55,;4.86,-3.13,;3.77,-4.22,;2.29,-3.82,;1.2,-4.91,;-.29,-4.51,;-.69,-3.02,;.4,-1.93,;1.89,-2.33,;-1.38,-5.6,;-1.14,-7.12,;-2.51,-7.82,;-3.6,-6.73,;-5.09,-7.13,;-2.9,-5.36,)|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair