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BDBM50150447 CHEMBL3770217

SMILES: Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2ccccc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12

InChI Key: InChIKey=ZZTCXHLONQGBNC-SSEXGKCCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150447   
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))		BDBM50150447
PNG
(CHEMBL3770217)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2ccccc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C33H43ClN6O2/c1-23-19-24(20-26-22-35-37-31(23)26)21-30(32(41)39-17-11-27(12-18-39)38-13-5-2-6-14-38)36-33(42)40-15-9-25(10-16-40)28-7-3-4-8-29(28)34/h3-4,7-8,19-20,22,25,27,30H,2,5-6,9-18,21H2,1H3,(H,35,37)(H,36,42)/t30-/m1/s1
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PC cid
PC sid
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Similars
PubMed
n/an/a 9.80n/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