BindingDB logo
myBDB logout

BDBM381649 US10272077, Example 17

SMILES: C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N1CC1CCC1)c1cccc(F)c1F

InChI Key: InChIKey=YMCFHBHDULMYRT-OFNQDKFNSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 381649   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CGRP type 1 receptor


(Homo sapiens (Human))
BDBM381649
PNG
(US10272077, Example 17)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N1CC1CCC1)c1cccc(F)c1F
Show InChI InChI=1S/C32H31F2N5O3/c1-17-22(21-7-3-9-24(33)27(21)34)12-25(30(41)39(17)16-18-5-2-6-18)37-29(40)20-11-19-13-32(14-26(19)36-15-20)23-8-4-10-35-28(23)38-31(32)42/h3-4,7-11,15,17-18,22,25H,2,5-6,12-14,16H2,1H3,(H,37,40)(H,35,38,42)/t17-,22-,25+,32+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0550n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The binding of 125I-CGRP to receptors in SK-N-MC cell membranes was carried out essentially as described (Edvinsson et al. (2001) Eur. J. Pharmacol. ...


US Patent US10272077 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C8C
More data for this
Ligand-Target Pair