BDBM50116474 4-(2-{[22-Amino-13-carboxymethyl-19-(3-guanidino-propyl)-10-(1-hydroxy-ethyl)-16-hydroxymethyl-7-isobutyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaaza-cyclotricosane-4-carbonyl]-amino}-acetylamino)-4-carbamoyl-butyric acid::CHEMBL323620

SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(N)=O)[C@@H](C)O

InChI Key InChIKey=BJHHYFPDNPOTHE-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50116474   

TargetIntegrin alpha-4/beta-7(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50116474(4-(2-{[22-Amino-13-carboxymethyl-19-(3-guanidino-p...)
Affinity DataIC50: 30nMAssay Description:Ability to block the alpha4-beta7 integrin-MAdCAM-1 binding interaction using a protein ELISA formatMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetIntegrin alpha-V/beta-3(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50116474(4-(2-{[22-Amino-13-carboxymethyl-19-(3-guanidino-p...)
Affinity DataIC50: 1.00E+3nMAssay Description:Ability to block the alphaV-beta3 integrin binding to vitronectinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50116474(4-(2-{[22-Amino-13-carboxymethyl-19-(3-guanidino-p...)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibitory concentration affording 50% inhibition of alpha4-beta1 integrin binding to VCAM-1, using ELISA assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetIntegrin alpha-5/beta-1(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50116474(4-(2-{[22-Amino-13-carboxymethyl-19-(3-guanidino-p...)
Affinity DataIC50: 6.10E+3nMAssay Description:Ability to block the alpha5-beta1 integrin binding to fibronectinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetIntegrin alpha-IIb/beta-3(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50116474(4-(2-{[22-Amino-13-carboxymethyl-19-(3-guanidino-p...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of alpha IIb beta3 integrin binding to fibrinogenMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetIntegrin alpha-L/beta-2(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50116474(4-(2-{[22-Amino-13-carboxymethyl-19-(3-guanidino-p...)
Affinity DataIC50: 1.00E+5nMAssay Description:Ability to block alphaL-beta2 integrin binding to ICAM-1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed