BindingDB logo
myBDB logout

null

SMILES: CNC(=O)N1CCn2c(C1)c(nc2C1CCOCC1)-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 4 hits for monomerid = 511390   
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
CREB-binding protein [1081-1197]


(Homo sapiens (Human))		BDBM511390
PNG
(1-(7-fluoro-3-(2- methylthiazol-5- yl)isoquinolin-...)
Show SMILES CNC(=O)N1CCn2c(C1)c(nc2C1CCOCC1)-c1c(F)ccc2cc(ncc12)-c1cnc(C)s1 |(-5.55,.26,;-4.22,1.03,;-2.89,.26,;-2.89,-1.28,;-1.55,1.03,;-1.55,2.57,;-.22,3.34,;1.11,2.57,;1.11,1.03,;-.22,.26,;2.58,.55,;3.48,1.8,;2.58,3.05,;2.98,4.53,;4.47,4.93,;4.86,6.42,;3.77,7.51,;2.29,7.11,;1.89,5.62,;2.98,-.93,;4.47,-1.33,;5.55,-.24,;4.86,-2.82,;3.77,-3.91,;2.29,-3.51,;1.2,-4.6,;-.29,-4.2,;-.69,-2.71,;.4,-1.62,;1.89,-2.02,;-1.38,-5.29,;-1.14,-6.81,;-2.51,-7.51,;-3.6,-6.42,;-5.09,-6.82,;-2.9,-5.05,)|
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
Bromodomain-containing protein 4 [49-170]


(Homo sapiens (Human))		BDBM511390
PNG
(1-(7-fluoro-3-(2- methylthiazol-5- yl)isoquinolin-...)
Show SMILES CNC(=O)N1CCn2c(C1)c(nc2C1CCOCC1)-c1c(F)ccc2cc(ncc12)-c1cnc(C)s1 |(-5.55,.26,;-4.22,1.03,;-2.89,.26,;-2.89,-1.28,;-1.55,1.03,;-1.55,2.57,;-.22,3.34,;1.11,2.57,;1.11,1.03,;-.22,.26,;2.58,.55,;3.48,1.8,;2.58,3.05,;2.98,4.53,;4.47,4.93,;4.86,6.42,;3.77,7.51,;2.29,7.11,;1.89,5.62,;2.98,-.93,;4.47,-1.33,;5.55,-.24,;4.86,-2.82,;3.77,-3.91,;2.29,-3.51,;1.2,-4.6,;-.29,-4.2,;-.69,-2.71,;.4,-1.62,;1.89,-2.02,;-1.38,-5.29,;-1.14,-6.81,;-2.51,-7.51,;-3.6,-6.42,;-5.09,-6.82,;-2.9,-5.05,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.48E+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))		BDBM511390
PNG
(1-(7-fluoro-3-(2- methylthiazol-5- yl)isoquinolin-...)
Show SMILES CNC(=O)N1CCn2c(C1)c(nc2C1CCOCC1)-c1c(F)ccc2cc(ncc12)-c1cnc(C)s1 |(-5.55,.26,;-4.22,1.03,;-2.89,.26,;-2.89,-1.28,;-1.55,1.03,;-1.55,2.57,;-.22,3.34,;1.11,2.57,;1.11,1.03,;-.22,.26,;2.58,.55,;3.48,1.8,;2.58,3.05,;2.98,4.53,;4.47,4.93,;4.86,6.42,;3.77,7.51,;2.29,7.11,;1.89,5.62,;2.98,-.93,;4.47,-1.33,;5.55,-.24,;4.86,-2.82,;3.77,-3.91,;2.29,-3.51,;1.2,-4.6,;-.29,-4.2,;-.69,-2.71,;.4,-1.62,;1.89,-2.02,;-1.38,-5.29,;-1.14,-6.81,;-2.51,-7.51,;-3.6,-6.42,;-5.09,-6.82,;-2.9,-5.05,)|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [49-170]


(Homo sapiens (Human))		BDBM511390
PNG
(1-(7-fluoro-3-(2- methylthiazol-5- yl)isoquinolin-...)
Show SMILES CNC(=O)N1CCn2c(C1)c(nc2C1CCOCC1)-c1c(F)ccc2cc(ncc12)-c1cnc(C)s1 |(-5.55,.26,;-4.22,1.03,;-2.89,.26,;-2.89,-1.28,;-1.55,1.03,;-1.55,2.57,;-.22,3.34,;1.11,2.57,;1.11,1.03,;-.22,.26,;2.58,.55,;3.48,1.8,;2.58,3.05,;2.98,4.53,;4.47,4.93,;4.86,6.42,;3.77,7.51,;2.29,7.11,;1.89,5.62,;2.98,-.93,;4.47,-1.33,;5.55,-.24,;4.86,-2.82,;3.77,-3.91,;2.29,-3.51,;1.2,-4.6,;-.29,-4.2,;-.69,-2.71,;.4,-1.62,;1.89,-2.02,;-1.38,-5.29,;-1.14,-6.81,;-2.51,-7.51,;-3.6,-6.42,;-5.09,-6.82,;-2.9,-5.05,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.84E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair