BindingDB logo
myBDB logout

null

SMILES: Cn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccn(C)c2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=XXBDHHUZDWANQK-QHCPKHFHSA-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 = 473306   
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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM473306
PNG
(US10844044, Example 157 | US10844044, Example 211)
Show SMILES Cn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccn(C)c2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C27H25Cl2F3N6O/c1-36-7-8-38(26(36)33)13-15-9-18(20-14-37(2)35-24(20)27(30,31)32)11-19(10-15)25(39)34-23(16-3-4-16)17-5-6-21(28)22(29)12-17/h5-12,14,16,23,33H,3-4,13H2,1-2H3,(H,34,39)/t23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...


US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM473306
PNG
(US10844044, Example 157 | US10844044, Example 211)
Show SMILES Cn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccn(C)c2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C27H25Cl2F3N6O/c1-36-7-8-38(26(36)33)13-15-9-18(20-14-37(2)35-24(20)27(30,31)32)11-19(10-15)25(39)34-23(16-3-4-16)17-5-6-21(28)22(29)12-17/h5-12,14,16,23,33H,3-4,13H2,1-2H3,(H,34,39)/t23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...


US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair