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SMILES: CC1(C)c2ncc(Cl)cc2-c2ccc(Cl)cc2N(c2ccc(cc2)N2CC(F)(CN[C@H]3CC[C@@H](CC3)C(O)=O)C2)C1=O

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50600483   
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
Parathyroid hormone/parathyroid hormone-related peptide receptor


(Homo sapiens (Human))
BDBM50600483
PNG
(CHEMBL5201424)
Show SMILES CC1(C)c2ncc(Cl)cc2-c2ccc(Cl)cc2N(c2ccc(cc2)N2CC(F)(CN[C@H]3CC[C@@H](CC3)C(O)=O)C2)C1=O |r,wU:30.32,wD:33.39,(3.5,-3.32,;2.01,-2.92,;3.1,-1.83,;1.35,-4.31,;2.4,-5.43,;1.96,-6.91,;.46,-7.27,;.06,-8.76,;-.6,-6.15,;-.16,-4.66,;-1.38,-3.7,;-2.7,-4.47,;-4.04,-3.71,;-4.04,-2.16,;-5.37,-1.39,;-2.71,-1.39,;-1.38,-2.16,;-.18,-1.2,;-.58,.29,;-2.06,.69,;-2.46,2.17,;-1.37,3.26,;.11,2.87,;.52,1.38,;-1.77,4.75,;-1,6.08,;-2.36,6.87,;-3.69,7.64,;-1.96,8.36,;-.47,8.76,;.62,7.67,;2.11,8.07,;3.2,6.98,;2.8,5.49,;1.31,5.09,;.22,6.18,;3.89,4.4,;3.49,2.91,;5.37,4.8,;-3.13,5.53,;1.32,-1.53,;2.41,-.44,)|
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116763
BindingDB Entry DOI: 10.7270/Q2280CPH
More data for this
Ligand-Target Pair