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BDBM126179 US8778957, 69

SMILES: O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4CC5(CCCC5)NC(=O)C4c4ccccc4)nc3cc2C1

InChI Key: InChIKey=NGBPZJBIUIHCHY-OVUYURIWSA-N

Data: 1 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126179   
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 (CGRP alpha)


(Homo sapiens (Human))
BDBM126179
PNG
(US8778957, 69)
Show SMILES O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4CC5(CCCC5)NC(=O)C4c4ccccc4)nc3cc2C1 |r|
Show InChI InChI=1S/C33H31N5O2/c39-30-28(21-7-2-1-3-8-21)38(20-32(37-30)12-4-5-13-32)19-25-11-10-22-15-23-17-33(18-24(23)16-27(22)35-25)26-9-6-14-34-29(26)36-31(33)40/h1-3,6-11,14-16,28H,4-5,12-13,17-20H2,(H,37,39)(H,34,36,40)/t28?,33-/m0/s1
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PC cid
PC sid
UniChem
US Patent
43 -10.0n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair