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-UHFFFAOYSA-N

Data: 4 IC50  2 Kd

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 6 hits for monomerid = 50075566   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-V/beta-3 (Human)	BDBM50075566 (CHEMBL117989 | CHEMBL275611 | (S)-3-{2-[(R)-3-(4-C...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Human)	BDBM50075566 (CHEMBL117989 | CHEMBL275611 | (S)-3-{2-[(R)-3-(4-C...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Human)	BDBM50075566 (CHEMBL117989 | CHEMBL275611 | (S)-3-{2-[(R)-3-(4-C...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Human)	BDBM50075566 (CHEMBL117989 | CHEMBL275611 | (S)-3-{2-[(R)-3-(4-C...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Human)	BDBM50075566 (CHEMBL117989 | CHEMBL275611 | (S)-3-{2-[(R)-3-(4-C...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Human)	BDBM50075566 (CHEMBL117989 | CHEMBL275611 | (S)-3-{2-[(R)-3-(4-C...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair