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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 = 'BDBM100868'   
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))
BDBM100868
PNG
(US8507477, 9)
Show SMILES Fc1cc(F)cc(c1)[C@@H]1CCC2(CCCC2)C(=O)N1Cc1cnc2cc3C[C@]4(Cc3cc2c1)C(=O)Nc1ncccc41 |r|
Show InChI InChI=1S/C34H30F2N4O2/c35-25-12-22(13-26(36)15-25)29-5-8-33(6-1-2-7-33)32(42)40(29)19-20-10-21-11-23-16-34(17-24(23)14-28(21)38-18-20)27-4-3-9-37-30(27)39-31(34)41/h3-4,9-15,18,29H,1-2,5-8,16-17,19H2,(H,37,39,41)/t29-,34-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
0.770n/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