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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor' and Ligand = 'BDBM100867'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM100867
PNG
(US8507477, 8)
Show SMILES Fc1cc(F)cc(c1)[C@@H]1CNC2(CCCC2)C(=O)N1Cc1cnc2cc3C[C@]4(Cc3cc2c1)C(=O)Nc1ncccc41 |r|
Show InChI InChI=1S/C33H29F2N5O2/c34-24-10-21(11-25(35)13-24)28-17-38-33(5-1-2-6-33)31(42)40(28)18-19-8-20-9-22-14-32(15-23(22)12-27(20)37-16-19)26-4-3-7-36-29(26)39-30(32)41/h3-4,7-13,16,28,38H,1-2,5-6,14-15,17-18H2,(H,36,39,41)/t28-,32-/m0/s1
PDB
MMDB

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PC cid
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US Patent
0.140n/an/an/an/an/an/an/an/a



Merck, Sharp & Dohme, Corp.

US Patent


Assay Description
Receptor binding assay.


US Patent US8507477 (2013)


BindingDB Entry DOI: 10.7270/Q20000Q1
More data for this
Ligand-Target Pair