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PubMed code 7650686

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50033030
PNG
((R)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES C[C@H](CC(O)=O)NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O
Show InChI InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1
PDB

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PubMed
n/an/a>5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human umbilical vein endothelial cell adhesion to vitronectin

J Med Chem 38: 3332-41 (1995)


BindingDB Entry DOI: 10.7270/Q23N24K4
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))		BDBM50033030
PNG
((R)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES C[C@H](CC(O)=O)NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O
Show InChI InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a>5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human umbilical vein endothelial cell adhesion to fibronectin

J Med Chem 38: 3332-41 (1995)


BindingDB Entry DOI: 10.7270/Q23N24K4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50033030
PNG
((R)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES C[C@H](CC(O)=O)NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O
Show InChI InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a>5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human umbilical vein endothelial cell adhesion to fibrinogen

J Med Chem 38: 3332-41 (1995)


BindingDB Entry DOI: 10.7270/Q23N24K4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%