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BDBM50150467 CHEMBL3769892

SMILES: Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2ccc(cc2C(F)(F)F)C(F)(F)F)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12

InChI Key: InChIKey=HJRDKTXYUSZIPU-SSEXGKCCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150467   
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))		BDBM50150467
PNG
(CHEMBL3769892)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2ccc(cc2C(F)(F)F)C(F)(F)F)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C35H42F6N6O2/c1-22-17-23(18-25-21-42-44-31(22)25)19-30(32(48)46-15-9-27(10-16-46)45-11-3-2-4-12-45)43-33(49)47-13-7-24(8-14-47)28-6-5-26(34(36,37)38)20-29(28)35(39,40)41/h5-6,17-18,20-21,24,27,30H,2-4,7-16,19H2,1H3,(H,42,44)(H,43,49)/t30-/m1/s1
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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