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BDBM100872 US8507477, 13

SMILES: CN1C[C@](C)(N(Cc2cnc3cc4C[C@]5(Cc4cc3c2)C(=O)Nc2ncccc52)C(=O)C11CCCC1)c1cc(F)cc(F)c1

InChI Key: InChIKey=RIIZMIGAWDJDCC-HEVIKAOCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 100872   
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
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM100872
PNG
(US8507477, 13)
Show SMILES CN1C[C@](C)(N(Cc2cnc3cc4C[C@]5(Cc4cc3c2)C(=O)Nc2ncccc52)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C35H33F2N5O2/c1-33(25-13-26(36)15-27(37)14-25)20-41(2)35(7-3-4-8-35)32(44)42(33)19-21-10-22-11-23-16-34(17-24(23)12-29(22)39-18-21)28-6-5-9-38-30(28)40-31(34)43/h5-6,9-15,18H,3-4,7-8,16-17,19-20H2,1-2H3,(H,38,40,43)/t33-,34-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
0.0620n/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