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BDBM280844 3-{2-[4-amino-5-methyl- 2-{1-[4- methylcyclohexylmethyl]- 1H-pyrazolo[3,4- b]pyridin-3-yl}-6-oxo-6,7- dihydro-5H-pyrrolo[2,3- d]pyrimidin-5-yl]-1,3- oxazol-4-yl}-2,2- dimethylpropanoic acid::US10030027, Example 126AA::US10030027, Example 126AB

SMILES: CC1CCC(Cn2nc(-c3nc4NC(=O)C(C)(c5nc(CC(C)(C)C(O)=O)co5)c4c(N)n3)c3cccnc23)CC1

InChI Key:

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 = 280844   
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
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280844
PNG
(3-{2-[4-amino-5-methyl- 2-{1-[4- methylcyclohexylm...)
Show SMILES CC1CCC(Cn2nc(-c3nc4NC(=O)C(C)(c5nc(CC(C)(C)C(O)=O)co5)c4c(N)n3)c3cccnc23)CC1 |(-2.14,-7.53,;-3.23,-6.44,;-4.71,-6.84,;-5.8,-5.75,;-5.4,-4.26,;-6.49,-3.17,;-6.1,-1.69,;-4.63,-1.21,;-4.63,.33,;-3.3,1.1,;-1.96,.33,;-.63,1.1,;.83,.62,;1.74,1.87,;3.28,1.87,;.83,3.12,;.06,4.45,;2.17,3.89,;3.63,3.41,;4.54,4.66,;6.08,4.66,;6.85,5.99,;6.85,7.53,;5.51,6.76,;8.39,5.99,;9.16,7.32,;9.16,4.66,;3.63,5.9,;2.17,5.43,;-.63,2.64,;-1.96,3.41,;-1.96,4.95,;-3.3,2.64,;-6.1,.81,;-6.72,2.21,;-8.25,2.37,;-9.16,1.13,;-8.53,-.28,;-7,-.44,;-3.92,-3.86,;-2.83,-4.95,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0770n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280844
PNG
(3-{2-[4-amino-5-methyl- 2-{1-[4- methylcyclohexylm...)
Show SMILES CC1CCC(Cn2nc(-c3nc4NC(=O)C(C)(c5nc(CC(C)(C)C(O)=O)co5)c4c(N)n3)c3cccnc23)CC1 |(-2.14,-7.53,;-3.23,-6.44,;-4.71,-6.84,;-5.8,-5.75,;-5.4,-4.26,;-6.49,-3.17,;-6.1,-1.69,;-4.63,-1.21,;-4.63,.33,;-3.3,1.1,;-1.96,.33,;-.63,1.1,;.83,.62,;1.74,1.87,;3.28,1.87,;.83,3.12,;.06,4.45,;2.17,3.89,;3.63,3.41,;4.54,4.66,;6.08,4.66,;6.85,5.99,;6.85,7.53,;5.51,6.76,;8.39,5.99,;9.16,7.32,;9.16,4.66,;3.63,5.9,;2.17,5.43,;-.63,2.64,;-1.96,3.41,;-1.96,4.95,;-3.3,2.64,;-6.1,.81,;-6.72,2.21,;-8.25,2.37,;-9.16,1.13,;-8.53,-.28,;-7,-.44,;-3.92,-3.86,;-2.83,-4.95,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.100n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair