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BDBM50180777 CHEMBL427759::FV((1R,2R,3R)-beta-aminocyclopropane carboxylic acid)TDVGPFAF

SMILES: COC(=O)[C@H]1[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(C)C)[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=OQNIKHVOMULLTM-ACLQEYHMSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50180777   
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 type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50180777
PNG
(CHEMBL427759 | FV((1R,2R,3R)-beta-aminocyclopropan...)
Show SMILES COC(=O)[C@H]1[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(C)C)[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[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/C61H81N11O17/c1-31(2)47(57(83)63-30-43(74)72-25-17-24-42(72)55(81)65-39(27-36-20-13-9-14-21-36)53(79)64-33(5)51(77)67-41(60(86)87)28-37-22-15-10-16-23-37)69-54(80)40(29-44(75)76)66-59(85)49(34(6)73)70-56(82)45-46(61(88)89-7)50(45)71-58(84)48(32(3)4)68-52(78)38(62)26-35-18-11-8-12-19-35/h8-16,18-23,31-34,38-42,45-50,73H,17,24-30,62H2,1-7H3,(H,63,83)(H,64,79)(H,65,81)(H,66,85)(H,67,77)(H,68,78)(H,69,80)(H,70,82)(H,71,84)(H,75,76)(H,86,87)/t33-,34+,38-,39-,40-,41-,42-,45+,46+,47-,48-,49-,50+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/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