BindingDB logo
myBDB logout

null

SMILES: Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCC[C@@H](C3)C(F)(F)F)nc2C2CC2)C1=O

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 1 hit for monomerid = 585834   
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
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))		BDBM585834
PNG
(US11530229, Compound 49)
Show SMILES Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCC[C@@H](C3)C(F)(F)F)nc2C2CC2)C1=O |r,wU:9.12,wD:7.14,30.35,(6.86,-1.25,;5.4,-1.73,;4.92,-3.19,;3.38,-3.19,;2.9,-1.73,;4.15,-.82,;4.15,.72,;5.48,1.49,;6.57,.4,;7.66,1.49,;6.57,2.58,;9.2,1.49,;10.74,1.49,;4.15,2.26,;4.15,3.8,;2.82,4.57,;1.48,3.8,;1.48,2.26,;2.82,1.49,;.15,1.49,;-.01,-.04,;-1.52,-.36,;-2.29,.97,;-3.83,.97,;-4.6,-.36,;-6.14,-.36,;-6.91,-1.7,;-6.12,-3.03,;-6.89,-4.36,;-8.43,-4.36,;-9.2,-3.03,;-8.43,-1.7,;-10.74,-3.03,;-11.51,-1.7,;-11.51,-4.36,;-12.28,-3.03,;-3.83,-1.7,;-2.29,-1.7,;-1.52,-3.03,;-1.52,-4.57,;-.18,-3.8,;-1.26,2.12,;-1.58,3.62,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair