BindingDB logo
myBDB logout

BDBM19069 (2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(4-phenylbenzene)sulfonyl]pyrrolidin-2-yl]formamido}propanoic acid::prolyl-2,3-diaminopropionic acid (DAP) scaffold, 25

InChI string: InChI=1S/C28H30N4O6S/c33-26(31-24(27(34)35)19-30-28(36)29-18-20-8-3-1-4-9-20)25-12-7-17-32(25)39(37,38)23-15-13-22(14-16-23)21-10-5-2-6-11-21/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,31,33)(H,34,35)(H2,29,30,36)/t24-,25-/m0/s1

SMILES: OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=XYOGSQQPCCUMRQ-DQEYMECFSA-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 = 19069   
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))
BDBM19069
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(4-phe...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H30N4O6S/c33-26(31-24(27(34)35)19-30-28(36)29-18-20-8-3-1-4-9-20)25-12-7-17-32(25)39(37,38)23-15-13-22(14-16-23)21-10-5-2-6-11-21/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,31,33)(H,34,35)(H2,29,30,36)/t24-,25-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 287n/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