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BDBM19050 (2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]formamido}-3-(3-phenylpropanamido)propanoic acid::prolyl-2,3-diaminopropionic acid (DAP) scaffold, 6

InChI string: InChI=1S/C23H27N3O6S/c27-21(14-13-17-8-3-1-4-9-17)24-16-19(23(29)30)25-22(28)20-12-7-15-26(20)33(31,32)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,24,27)(H,25,28)(H,29,30)/t19-,20?/m0/s1

SMILES: OC(=O)[C@H](CNC(=O)CCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1

InChI Key: InChIKey=OFHTUILKSOVDNM-XJDOXCRVSA-N

Data: 1 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 1 hit for monomerid = 19050   
Target
(Institution)
LigandTarget
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 alpha2beta1


(Homo sapiens (human))
BDBM19050
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES OC(=O)[C@H](CNC(=O)CCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H27N3O6S/c27-21(14-13-17-8-3-1-4-9-17)24-16-19(23(29)30)25-22(28)20-12-7-15-26(20)33(31,32)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,24,27)(H,25,28)(H,29,30)/t19-,20?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 367n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair