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BDBM50150448 CHEMBL3769822

SMILES: Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2ccccc2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12

InChI Key: InChIKey=ZOLIZNHAKPNRDO-SSEXGKCCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150448   
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))		BDBM50150448
PNG
(CHEMBL3769822)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2ccccc2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C33H44N6O2/c1-24-20-25(21-28-23-34-36-31(24)28)22-30(32(40)38-18-12-29(13-19-38)37-14-6-3-7-15-37)35-33(41)39-16-10-27(11-17-39)26-8-4-2-5-9-26/h2,4-5,8-9,20-21,23,27,29-30H,3,6-7,10-19,22H2,1H3,(H,34,36)(H,35,41)/t30-/m1/s1
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n/an/a 460n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from alpha CGRP in human SK-N-MC cells after 2 hrs by scintillation counter

Bioorg Med Chem Lett 26: 1229-32 (2016)


BindingDB Entry DOI: 10.7270/Q2NG4SH3
More data for this
Ligand-Target Pair