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BDBM50036087 CHEMBL18562::[(3R,12S,18S,21S)-18-(3-Guanidino-propyl)-2,8,11,14,17,20-hexaoxo-1,7,10,13,16,19-hexaaza-tricyclo[19.3.0.0*3,7*]tetracos-12-yl]-acetic acid

SMILES: NC(=N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O

InChI Key: InChIKey=XRURHRUDSRBRSG-YHUYYLMFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50036087   
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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50036087
PNG
(CHEMBL18562 | [(3R,12S,18S,21S)-18-(3-Guanidino-pr...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O
Show InChI InChI=1S/C24H37N9O8/c25-24(26)27-7-1-4-13-20(38)28-11-17(34)30-14(10-19(36)37)21(39)29-12-18(35)32-8-3-6-16(32)23(41)33-9-2-5-15(33)22(40)31-13/h13-16H,1-12H2,(H,28,38)(H,29,39)(H,30,34)(H,31,40)(H,36,37)(H4,25,26,27)/t13-,14-,15-,16+/m0/s1
PDB

KEGG

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Similars
PubMed
 1.90E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SKF- 107260 binding to purified alphaIIb-beta3 integrin of human platelets

J Med Chem 38: 9-12 (1995)


BindingDB Entry DOI: 10.7270/Q2PN94PD
More data for this
Ligand-Target Pair