BDBM50429812 CHEMBL2337669

SMILES: CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC[C@@H](COc3ccc(cc3)C(N)=[NH2+])Oc2c1

InChI Key: InChIKey=DYUYSOFSDYVVJJ-JOCHJYFZSA-O

Data: 2 KI  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 4 hits for monomerid = 50429812   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50429812 (CHEMBL2337669) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC[C@@H](COc3ccc(cc3)C(N)=[NH2+])Oc2c1 |r| Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)36-22(17-35-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	637	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin) using S-2222 as susbtrate preincubated with enzyme for 15 mins prior to substrate addition measured every 1...				Eur J Med Chem 62: 329-40 (2013) Article DOI: 10.1016/j.ejmech.2013.01.002 BindingDB Entry DOI: 10.7270/Q2445NTR
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50429812 (CHEMBL2337669) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC[C@@H](COc3ccc(cc3)C(N)=[NH2+])Oc2c1 |r| Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)36-22(17-35-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	675	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using S-2238 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 ...				Eur J Med Chem 62: 329-40 (2013) Article DOI: 10.1016/j.ejmech.2013.01.002 BindingDB Entry DOI: 10.7270/Q2445NTR
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50429812 (CHEMBL2337669) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC[C@@H](COc3ccc(cc3)C(N)=[NH2+])Oc2c1 |r| Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)36-22(17-35-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of biotinylated fibrinogen binding to human alphavbeta3 integrin receptor after 2 hrs by solid-phase competitive displacement assay				Eur J Med Chem 62: 329-40 (2013) Article DOI: 10.1016/j.ejmech.2013.01.002 BindingDB Entry DOI: 10.7270/Q2445NTR
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50429812 (CHEMBL2337669) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC[C@@H](COc3ccc(cc3)C(N)=[NH2+])Oc2c1 |r| Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)36-22(17-35-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of biotinylated fibrinogen binding to human GP 2b/3a after 2 hrs by solid-phase competitive displacement assay				Eur J Med Chem 62: 329-40 (2013) Article DOI: 10.1016/j.ejmech.2013.01.002 BindingDB Entry DOI: 10.7270/Q2445NTR
					More data for this Ligand-Target Pair