BDBM50006340 11-Carboxymethyl-17-(3-guanidino-propyl)-4,10,13,16,19-pentaoxo-octadecahydro-6-thia-3a,9,12,15,18-pentaaza-cyclopentacyclooctadecene-8-carboxylic acid::CHEMBL431138

SMILES: NC(=N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O

InChI Key: InChIKey=CCEWOJIAQCICDN-XUXIUFHCSA-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 = 50006340   

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))	BDBM50006340 (11-Carboxymethyl-17-(3-guanidino-propyl)-4,10,13,1...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C22H34N8O9S/c23-22(24)25-5-1-3-11-18(35)26-8-15(31)27-12(7-17(33)34)19(36)29-13(21(38)39)9-40-10-16(32)30-6-2-4-14(30)20(37)28-11/h11-14H,1-10H2,(H,26,35)(H,27,31)(H,28,37)(H,29,36)(H,33,34)(H,38,39)(H4,23,24,25)/t11-,12-,13-,14-/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	1	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))	BDBM50006340 (11-Carboxymethyl-17-(3-guanidino-propyl)-4,10,13,1...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C22H34N8O9S/c23-22(24)25-5-1-3-11-18(35)26-8-15(31)27-12(7-17(33)34)19(36)29-13(21(38)39)9-40-10-16(32)30-6-2-4-14(30)20(37)28-11/h11-14H,1-10H2,(H,26,35)(H,27,31)(H,28,37)(H,29,36)(H,33,34)(H,38,39)(H4,23,24,25)/t11-,12-,13-,14-/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	430	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