BDBM50092126 2-(3,5-Dimethyl-isoxazole-4-sulfonylamino)-3-[(3-pyridin-4-yl-3-aza-spiro[5.5]undecane-9-carbonyl)-amino]-propionic acid::2-(3,5-dimethyl-4-isoxazolylsulfonamido)-3-[3-(4-pyridyl)-3-azaspiro[5.5]undec-9-ylcarboxamido]-(2S)-propanoic acid::CHEMBL24067

SMILES: Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O

InChI Key: InChIKey=WVAHTVNIUCSTBB-FQEVSTJZSA-N

Data: 2 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 2 hits for monomerid = 50092126   

Target/Host (Institution)	Ligand	Target/Host 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	pH	Temp °C
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50092126 (2-(3,5-Dimethyl-isoxazole-4-sulfonylamino)-3-[(3-p...) Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O Show InChI InChI=1S/C24H33N5O6S/c1-16-21(17(2)35-27-16)36(33,34)28-20(23(31)32)15-26-22(30)18-3-7-24(8-4-18)9-13-29(14-10-24)19-5-11-25-12-6-19/h5-6,11-12,18,20,28H,3-4,7-10,13-15H2,1-2H3,(H,26,30)(H,31,32)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of gel filtered platelet aggregation induced by ADP.				J Med Chem 43: 3453-73 (2000) BindingDB Entry DOI: 10.7270/Q2ZS2X79
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50092126 (2-(3,5-Dimethyl-isoxazole-4-sulfonylamino)-3-[(3-p...) Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O Show InChI InChI=1S/C24H33N5O6S/c1-16-21(17(2)35-27-16)36(33,34)28-20(23(31)32)15-26-22(30)18-3-7-24(8-4-18)9-13-29(14-10-24)19-5-11-25-12-6-19/h5-6,11-12,18,20,28H,3-4,7-10,13-15H2,1-2H3,(H,26,30)(H,31,32)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc Curated by ChEMBL					Assay Description In vitro inhibitory activity against blockage of binding of fibrinogen to purified human GPIIbIIIa				Bioorg Med Chem Lett 11: 1293-6 (2001) BindingDB Entry DOI: 10.7270/Q2Z037DQ
					More data for this Ligand-Target Pair