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BDBM50101773 (S)-2-(Naphthalene-1-sulfonylamino)-3-({5-[2-(1,4,5,6-tetrahydro-pyrimidin-2-ylcarbamoyl)-ethyl]-thiophene-2-carbonyl}-amino)-propionic acid::CHEMBL61011

SMILES: OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)c1cccc2ccccc12

InChI Key: InChIKey=CYKGGZKCPJYWKZ-IBGZPJMESA-N

Data: 3 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 3 hits for monomerid = 50101773   
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
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50101773
PNG
((S)-2-(Naphthalene-1-sulfonylamino)-3-({5-[2-(1,4,...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)c1cccc2ccccc12 |t:17|
Show InChI InChI=1S/C25H27N5O6S2/c31-22(29-25-26-13-4-14-27-25)12-10-17-9-11-20(37-17)23(32)28-15-19(24(33)34)30-38(35,36)21-8-3-6-16-5-1-2-7-18(16)21/h1-3,5-9,11,19,30H,4,10,12-15H2,(H,28,32)(H,33,34)(H2,26,27,29,31)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 13n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Concentration required to reduce binding of human 293 cell attachment to immobilized vitronectin receptor(Vn/293) by 50%


Bioorg Med Chem Lett 11: 2011-5 (2001)


BindingDB Entry DOI: 10.7270/Q2N87930
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50101773
PNG
((S)-2-(Naphthalene-1-sulfonylamino)-3-({5-[2-(1,4,...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)c1cccc2ccccc12 |t:17|
Show InChI InChI=1S/C25H27N5O6S2/c31-22(29-25-26-13-4-14-27-25)12-10-17-9-11-20(37-17)23(32)28-15-19(24(33)34)30-38(35,36)21-8-3-6-16-5-1-2-7-18(16)21/h1-3,5-9,11,19,30H,4,10,12-15H2,(H,28,32)(H,33,34)(H2,26,27,29,31)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 80n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Concentration required to reduce binding of human 293 cell attachment to immobilized vitronectin receptor(Vn/293) by 50%


Bioorg Med Chem Lett 11: 2011-5 (2001)


BindingDB Entry DOI: 10.7270/Q2N87930
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50101773
PNG
((S)-2-(Naphthalene-1-sulfonylamino)-3-({5-[2-(1,4,...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)c1cccc2ccccc12 |t:17|
Show InChI InChI=1S/C25H27N5O6S2/c31-22(29-25-26-13-4-14-27-25)12-10-17-9-11-20(37-17)23(32)28-15-19(24(33)34)30-38(35,36)21-8-3-6-16-5-1-2-7-18(16)21/h1-3,5-9,11,19,30H,4,10,12-15H2,(H,28,32)(H,33,34)(H2,26,27,29,31)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Concentration required to reduce binding of human 293 cell attachment to immobilized vitronectin receptor(Vn/293) by 50%


Bioorg Med Chem Lett 11: 2011-5 (2001)


BindingDB Entry DOI: 10.7270/Q2N87930
More data for this
Ligand-Target Pair