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BDBM158883 US9034866, 358

SMILES: Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3[C@H](O)c3ccnn3C)-c2c1

InChI Key: InChIKey=CYWQXWPFLGLCSX-WREMVGGENA-N

Data: 2 KI

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 = 158883   
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
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM158883
PNG
(US9034866, 358)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3[C@H](O)c3ccnn3C)-c2c1 |r,wU:6.7,27.30,wD:6.8,(2.74,4.12,;4.07,3.35,;4.55,1.89,;6.09,1.89,;6.56,3.35,;5.32,4.26,;6.86,.55,;7.63,1.89,;8.19,-.22,;5.52,-.22,;4.19,-.99,;2.86,-1.76,;2.86,-3.3,;1.52,-4.07,;.19,-3.3,;-1.01,-4.26,;-2.52,-3.91,;-3.18,-2.53,;-1.63,-2.82,;-2.52,-1.14,;-1.01,-.8,;-.88,.74,;-2.29,1.34,;-2.69,2.83,;-4.18,3.23,;-1.6,3.92,;-3.31,.18,;-4.79,.58,;-5.19,2.07,;-5.88,-.51,;-5.41,-1.97,;-6.65,-2.88,;-7.9,-1.97,;-7.42,-.51,;-8.19,.83,;.19,-1.76,;1.52,-.99,)|
Show InChI InChI=1/C27H26N6O4/c1-14-10-21(31-37-14)27(2,36)8-6-15-4-5-18-16-12-17(13-16)33-23(24(34)20-7-9-29-32(20)3)22(25(28)35)30-26(33)19(18)11-15/h4-5,7,9-11,16-17,24,34,36H,12-13H2,1-3H3,(H2,28,35)/t16?,17?,24-,27-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.100n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5'-triphosphate (ATP) was monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM158883
PNG
(US9034866, 358)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3[C@H](O)c3ccnn3C)-c2c1 |r,wU:6.7,27.30,wD:6.8,(2.74,4.12,;4.07,3.35,;4.55,1.89,;6.09,1.89,;6.56,3.35,;5.32,4.26,;6.86,.55,;7.63,1.89,;8.19,-.22,;5.52,-.22,;4.19,-.99,;2.86,-1.76,;2.86,-3.3,;1.52,-4.07,;.19,-3.3,;-1.01,-4.26,;-2.52,-3.91,;-3.18,-2.53,;-1.63,-2.82,;-2.52,-1.14,;-1.01,-.8,;-.88,.74,;-2.29,1.34,;-2.69,2.83,;-4.18,3.23,;-1.6,3.92,;-3.31,.18,;-4.79,.58,;-5.19,2.07,;-5.88,-.51,;-5.41,-1.97,;-6.65,-2.88,;-7.9,-1.97,;-7.42,-.51,;-8.19,.83,;.19,-1.76,;1.52,-.99,)|
Show InChI InChI=1/C27H26N6O4/c1-14-10-21(31-37-14)27(2,36)8-6-15-4-5-18-16-12-17(13-16)33-23(24(34)20-7-9-29-32(20)3)22(25(28)35)30-26(33)19(18)11-15/h4-5,7,9-11,16-17,24,34,36H,12-13H2,1-3H3,(H2,28,35)/t16?,17?,24-,27-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.10n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5'-triphosphate (ATP) was monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair