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BDBM19067 (2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(2,6-dichlorobenzene)sulfonyl]pyrrolidin-2-yl]formamido}propanoic acid::prolyl-2,3-diaminopropionic acid (DAP) scaffold, 23

InChI string: InChI=1S/C22H24Cl2N4O6S/c23-15-8-4-9-16(24)19(15)35(33,34)28-11-5-10-18(28)20(29)27-17(21(30)31)13-26-22(32)25-12-14-6-2-1-3-7-14/h1-4,6-9,17-18H,5,10-13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t17-,18-/m0/s1

SMILES: OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl

InChI Key: InChIKey=VOBQHPIOYPRBKI-ROUUACIJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 19067   
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))
BDBM19067
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(2,6-d...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H24Cl2N4O6S/c23-15-8-4-9-16(24)19(15)35(33,34)28-11-5-10-18(28)20(29)27-17(21(30)31)13-26-22(32)25-12-14-6-2-1-3-7-14/h1-4,6-9,17-18H,5,10-13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t17-,18-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+4n/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