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

InChI Key: InChIKey=QCVBUWRWHOLCOJ-HNNXBMFYSA-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 = 480542   
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))
BDBM480542
PNG
(US10899769, Example 26a)
Show SMILES C[C@H]1C(=O)N(C)Cc2c(nc(C3CCOCC3)n12)-c1cccc2nc(-c3cnn(C)c3)c(cc12)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N6O2/c1-15-26(37)34(2)14-22-24(33-25(36(15)22)16-7-9-38-10-8-16)18-5-4-6-21-19(18)11-20(27(28,29)30)23(32-21)17-12-31-35(3)13-17/h4-6,11-13,15-16H,7-10,14H2,1-3H3/t15-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 193n/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)

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


(Homo sapiens (Human))
BDBM480542
PNG
(US10899769, Example 26a)
Show SMILES C[C@H]1C(=O)N(C)Cc2c(nc(C3CCOCC3)n12)-c1cccc2nc(-c3cnn(C)c3)c(cc12)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N6O2/c1-15-26(37)34(2)14-22-24(33-25(36(15)22)16-7-9-38-10-8-16)18-5-4-6-21-19(18)11-20(27(28,29)30)23(32-21)17-12-31-35(3)13-17/h4-6,11-13,15-16H,7-10,14H2,1-3H3/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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)

More data for this
Ligand-Target Pair