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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/Receptor activity-modifying protein 1' and Ligand = 'BDBM103498'   
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/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM103498
PNG
(US8552023, 30)
Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)c1c(C)noc1C)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C31H27F2N5O3/c1-17-27(19(3)41-37-17)29(39)38(18(2)21-11-23(32)13-24(33)12-21)9-5-6-20-10-22-14-31(15-26(22)35-16-20)25-7-4-8-34-28(25)36-30(31)40/h4-8,10-13,16,18H,9,14-15H2,1-3H3,(H,34,36,40)/b6-5+/t18-,31+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes


Bioorg Med Chem Lett 24: 258-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.027
BindingDB Entry DOI: 10.7270/Q2DB8393
More data for this
Ligand-Target Pair