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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1' and Ligand = 'BDBM50180779'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM50180779
PNG
(CHEMBL269734 | FVPTNVG((1R,2R,3R)-beta-aminocyclop...)
Show SMILES COC(=O)[C@H]1[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(C)C)[C@@H](C)O)C(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C61H82N12O16/c1-31(2)47(70-54(80)40(29-43(63)75)67-58(84)49(34(6)74)72-55(81)42-24-17-25-73(42)59(85)48(32(3)4)71-52(78)38(62)26-35-18-11-8-12-19-35)57(83)64-30-44(76)69-50-45(46(50)61(88)89-7)56(82)66-39(27-36-20-13-9-14-21-36)53(79)65-33(5)51(77)68-41(60(86)87)28-37-22-15-10-16-23-37/h8-16,18-23,31-34,38-42,45-50,74H,17,24-30,62H2,1-7H3,(H2,63,75)(H,64,83)(H,65,79)(H,66,82)(H,67,84)(H,68,77)(H,69,76)(H,70,80)(H,71,78)(H,72,81)(H,86,87)/t33-,34+,38-,39-,40-,41-,42-,45+,46+,47-,48-,49-,50+/m0/s1
PDB

KEGG

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Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells

J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair