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BDBM126176 US8778957, 84

SMILES: O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4C[C@@H](Cc5ccccc5)NC(=O)C4c4ccccc4)nc3cc2C1

InChI Key: InChIKey=VVPHOGJFQIHFKB-ZBCFSILBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126176   
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))		BDBM126176
PNG
(US8778957, 84)
Show SMILES O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4C[C@@H](Cc5ccccc5)NC(=O)C4c4ccccc4)nc3cc2C1 |r|
Show InChI InChI=1S/C36H31N5O2/c42-34-32(24-10-5-2-6-11-24)41(22-29(39-34)16-23-8-3-1-4-9-23)21-28-14-13-25-17-26-19-36(20-27(26)18-31(25)38-28)30-12-7-15-37-33(30)40-35(36)43/h1-15,17-18,29,32H,16,19-22H2,(H,39,42)(H,37,40,43)/t29-,32?,36+/m1/s1
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Similars
US Patent
 0.720 -12.5n/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)


BindingDB Entry DOI: 10.7270/Q29022G8
More data for this
Ligand-Target Pair