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BDBM50444976 CHEMBL3099926

SMILES: C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)c1sccc1C)c1cc(F)cc(F)c1

InChI Key: InChIKey=GAPKJXGSZQANSF-JGZWXOSLSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50444976   
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/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50444976
PNG
(CHEMBL3099926)
Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)c1sccc1C)c1cc(F)cc(F)c1
Show InChI InChI=1S/C31H26F2N4O2S/c1-18-7-10-40-27(18)29(38)37(19(2)21-12-23(32)14-24(33)13-21)9-4-5-20-11-22-15-31(16-26(22)35-17-20)25-6-3-8-34-28(25)36-30(31)39/h3-8,10-14,17,19H,9,15-16H2,1-2H3,(H,34,36,39)/b5-4+/t19-,31+/m1/s1
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.130n/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)

More data for this
Ligand-Target Pair