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BDBM50006283 6-Carboxymethyl-12-(3-guanidino-propyl)-15-(1H-imidazol-4-ylmethyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaaza-cyclooctadecane-3-carboxylic acid::CHEMBL65359

SMILES: NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O

InChI Key: InChIKey=LUAGPVPPCBTVMI-AJNGGQMLSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50006283   
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))
BDBM50006283
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-(1H-imi...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C23H34N10O9S/c24-23(25)27-3-1-2-12-19(38)28-7-16(34)30-14(5-18(36)37)21(40)33-15(22(41)42)8-43-9-17(35)31-13(20(39)32-12)4-11-6-26-10-29-11/h6,10,12-15H,1-5,7-9H2,(H,26,29)(H,28,38)(H,30,34)(H,31,35)(H,32,39)(H,33,40)(H,36,37)(H,41,42)(H4,24,25,27)/t12-,13-,14-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 540n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 35: 2040-8 (1992)


BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006283
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-(1H-imi...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C23H34N10O9S/c24-23(25)27-3-1-2-12-19(38)28-7-16(34)30-14(5-18(36)37)21(40)33-15(22(41)42)8-43-9-17(35)31-13(20(39)32-12)4-11-6-26-10-29-11/h6,10,12-15H,1-5,7-9H2,(H,26,29)(H,28,38)(H,30,34)(H,31,35)(H,32,39)(H,33,40)(H,36,37)(H,41,42)(H4,24,25,27)/t12-,13-,14-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair