BDBM50006344 6-Carboxymethyl-12-(3-guanidino-propyl)-15-isobutyl-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaaza-cyclooctadecane-3-carboxylic acid::CHEMBL281813

SMILES: CC(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=ZVWYSDIQMZGYAI-AJNGGQMLSA-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 = 50006344   

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))	BDBM50006344 (6-Carboxymethyl-12-(3-guanidino-propyl)-15-isobuty...) Show SMILES CC(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/C23H38N8O9S/c1-11(2)6-13-20(37)30-12(4-3-5-26-23(24)25)19(36)27-8-16(32)28-14(7-18(34)35)21(38)31-15(22(39)40)9-41-10-17(33)29-13/h11-15H,3-10H2,1-2H3,(H,27,36)(H,28,32)(H,29,33)(H,30,37)(H,31,38)(H,34,35)(H,39,40)(H4,24,25,26)/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	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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50006344 (6-Carboxymethyl-12-(3-guanidino-propyl)-15-isobuty...) Show SMILES CC(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/C23H38N8O9S/c1-11(2)6-13-20(37)30-12(4-3-5-26-23(24)25)19(36)27-8-16(32)28-14(7-18(34)35)21(38)31-15(22(39)40)9-41-10-17(33)29-13/h11-15H,3-10H2,1-2H3,(H,27,36)(H,28,32)(H,29,33)(H,30,37)(H,31,38)(H,34,35)(H,39,40)(H4,24,25,26)/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	200	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair