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SMILES: C[C@@]1(CC[C@@H](CC1)NCC1(F)CN(C1)c1ccc(cc1)N1c2cc(Cl)ccc2-c2cc(Cl)cnc2C(C)(C)C1=O)C(O)=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 = 50600485   
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))
BDBM50600485
PNG
(CHEMBL5202067)
Show SMILES C[C@@]1(CC[C@@H](CC1)NCC1(F)CN(C1)c1ccc(cc1)N1c2cc(Cl)ccc2-c2cc(Cl)cnc2C(C)(C)C1=O)C(O)=O |r,wU:4.7,wD:1.45,(4.63,5.09,;3.14,5.49,;3.54,6.98,;2.45,8.07,;.96,7.67,;.57,6.18,;1.65,5.09,;-.12,8.76,;-1.61,8.36,;-2.01,6.87,;-3.35,7.64,;-.66,6.08,;-1.43,4.75,;-2.78,5.53,;-1.03,3.26,;-2.12,2.17,;-1.72,.69,;-.23,.29,;.86,1.38,;.45,2.87,;.17,-1.2,;-1.03,-2.16,;-2.36,-1.39,;-3.69,-2.16,;-5.03,-1.39,;-3.69,-3.71,;-2.36,-4.47,;-1.03,-3.7,;.19,-4.66,;-.26,-6.15,;.81,-7.27,;.41,-8.76,;2.3,-6.91,;2.75,-5.43,;1.69,-4.31,;2.35,-2.92,;3.84,-3.32,;3.44,-1.83,;1.67,-1.53,;2.76,-.44,;3.54,4,;5.03,3.6,;2.45,2.91,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/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