BDBM50075566 (S)-3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxazol-5-yl]-acetylamino}-2-(3,5-dimethyl-isoxazole-4-sulfonylamino)-propionic acid; compound with methanesulfonic acid::CHEMBL117989::CHEMBL275611

SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O

InChI Key InChIKey=XKFYFSNOQRUIAO-ZBFHGGJFSA-N

Data  4 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50075566   

TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50075566((S)-3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory activity against alpha5-beta3 integrinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50075566((S)-3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...)
Affinity DataKd:  0.600nMAssay Description:Dissociation constant for activated Fibrinogen ReceptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50075566((S)-3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...)
Affinity DataIC50:  29nMAssay Description:Inhibition of unactivated human platelet aggregationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50075566((S)-3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...)
Affinity DataIC50:  29nMAssay Description:Inhibitory activity against Fibrinogen ReceptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50075566((S)-3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...)
Affinity DataKd:  0.900nMAssay Description:Dissociation constant for unactivated Fibrinogen ReceptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50075566((S)-3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibitory activity against alpha4-beta1 integrinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed