BDBM50006270 6-Carboxymethyl-15-(2,2-dimethyl-propyl)-12-(3-guanidino-propyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaaza-cyclooctadecane-3-carboxylic acid::CHEMBL292632

SMILES: CC(C)(C)C[C@@H]1NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O

InChI Key: InChIKey=BEIUZYAXIMVQKS-AJNGGQMLSA-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 = 50006270   

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))	BDBM50006270 (6-Carboxymethyl-15-(2,2-dimethyl-propyl)-12-(3-gua...) Show SMILES CC(C)(C)C[C@@H]1NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O Show InChI InChI=1S/C24H40N8O9S/c1-24(2,3)8-14-21(39)31-12(5-4-6-27-23(25)26)19(37)28-9-16(33)29-13(7-18(35)36)20(38)32-15(22(40)41)10-42-11-17(34)30-14/h12-15H,4-11H2,1-3H3,(H,28,37)(H,29,33)(H,30,34)(H,31,39)(H,32,38)(H,35,36)(H,40,41)(H4,25,26,27)/t12-,13-,14-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description The compound was tested for the inhibition of fibrinogen receptor				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair