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SMILES: C[C@@H]1C(=O)N(C)Cc2c(nc(C3CCOCC3)n12)-c1cccc2nc(-c3cnn(C)c3)c(cc12)C#N

InChI Key: InChIKey=OTLUGLDCVHKZEE-MRXNPFEDSA-N

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 = 480636   
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))
BDBM480636
PNG
(US10899769, Example 8b)
Show SMILES C[C@@H]1C(=O)N(C)Cc2c(nc(C3CCOCC3)n12)-c1cccc2nc(-c3cnn(C)c3)c(cc12)C#N |r|
Show InChI InChI=1S/C27H27N7O2/c1-16-27(35)32(2)15-23-25(31-26(34(16)23)17-7-9-36-10-8-17)20-5-4-6-22-21(20)11-18(12-28)24(30-22)19-13-29-33(3)14-19/h4-6,11,13-14,16-17H,7-10,15H2,1-3H3/t16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 332n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
CBP: 5 nM GST-CBP(1081-1197) and 20 nM biotin-H4(1-21) Ac-K5/8/12/16 (AnaSpec. 64989) were incubated with varying concentrations of CBP inhibitors in...


US Patent US10899769 (2021)


BindingDB Entry DOI: 10.7270/Q2H41VJJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [49-170]


(Homo sapiens (Human))
BDBM480636
PNG
(US10899769, Example 8b)
Show SMILES C[C@@H]1C(=O)N(C)Cc2c(nc(C3CCOCC3)n12)-c1cccc2nc(-c3cnn(C)c3)c(cc12)C#N |r|
Show InChI InChI=1S/C27H27N7O2/c1-16-27(35)32(2)15-23-25(31-26(34(16)23)17-7-9-36-10-8-17)20-5-4-6-22-21(20)11-18(12-28)24(30-22)19-13-29-33(3)14-19/h4-6,11,13-14,16-17H,7-10,15H2,1-3H3/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
BRD4: 2.5 nM of BRD4(49-170) and 10 nM biotin-H4(1-21) Ac-K5/8/12/16 (AnaSpec. 64989) were incubated with varying concentrations of CBP inhibitors in...


US Patent US10899769 (2021)


BindingDB Entry DOI: 10.7270/Q2H41VJJ
More data for this
Ligand-Target Pair