BDBM50006271 15-(2-Carboxy-ethyl)-6-carboxymethyl-12-(3-guanidino-propyl)-1,5,8,11,14,17-hexaoxo-1lambda*4*-thia-4,7,10,13,16-pentaaza-cyclooctadecane-3-carboxylic acid::CHEMBL303073

SMILES: NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O

InChI Key: InChIKey=CWEDQTIHVNMFPX-SKIZQQFTSA-N

Data: 4 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 4 hits for monomerid = 50006271   

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))	BDBM50006271 (15-(2-Carboxy-ethyl)-6-carboxymethyl-12-(3-guanidi...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C22H34N8O12S/c23-22(24)25-5-1-2-10-18(37)26-7-14(31)28-12(6-17(35)36)20(39)30-13(21(40)41)8-43(42)9-15(32)27-11(19(38)29-10)3-4-16(33)34/h10-13H,1-9H2,(H,26,37)(H,27,32)(H,28,31)(H,29,38)(H,30,39)(H,33,34)(H,35,36)(H,40,41)(H4,23,24,25)/t10-,11-,12-,13-,43?/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	900	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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50006271 (15-(2-Carboxy-ethyl)-6-carboxymethyl-12-(3-guanidi...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C22H34N8O12S/c23-22(24)25-5-1-2-10-18(37)26-7-14(31)28-12(6-17(35)36)20(39)30-13(21(40)41)8-43(42)9-15(32)27-11(19(38)29-10)3-4-16(33)34/h10-13H,1-9H2,(H,26,37)(H,27,32)(H,28,31)(H,29,38)(H,30,39)(H,33,34)(H,35,36)(H,40,41)(H4,23,24,25)/t10-,11-,12-,13-,43?/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	4.70	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))	BDBM50006271 (15-(2-Carboxy-ethyl)-6-carboxymethyl-12-(3-guanidi...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C22H34N8O12S/c23-22(24)25-5-1-2-10-18(37)26-7-14(31)28-12(6-17(35)36)20(39)30-13(21(40)41)8-43(42)9-15(32)27-11(19(38)29-10)3-4-16(33)34/h10-13H,1-9H2,(H,26,37)(H,27,32)(H,28,31)(H,29,38)(H,30,39)(H,33,34)(H,35,36)(H,40,41)(H4,23,24,25)/t10-,11-,12-,13-,43?/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	68	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))	BDBM50006271 (15-(2-Carboxy-ethyl)-6-carboxymethyl-12-(3-guanidi...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C22H34N8O12S/c23-22(24)25-5-1-2-10-18(37)26-7-14(31)28-12(6-17(35)36)20(39)30-13(21(40)41)8-43(42)9-15(32)27-11(19(38)29-10)3-4-16(33)34/h10-13H,1-9H2,(H,26,37)(H,27,32)(H,28,31)(H,29,38)(H,30,39)(H,33,34)(H,35,36)(H,40,41)(H4,23,24,25)/t10-,11-,12-,13-,43?/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	1.70E+4	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