BDBM50365116 CHEMBL1952401

SMILES: CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1

InChI Key: InChIKey=YAPDHLTUASRZFG-UHFFFAOYSA-N

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 = 50365116   

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
Prothrombin (Homo sapiens (Human))	BDBM50365116 (CHEMBL1952401) Show SMILES CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-5-9-21(30)10-6-19)22-11-14-24-25(15-22)39-29(2,17-33(24)3)18-38-23-12-7-20(8-13-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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 using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50365116 (CHEMBL1952401) Show SMILES CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-5-9-21(30)10-6-19)22-11-14-24-25(15-22)39-29(2,17-33(24)3)18-38-23-12-7-20(8-13-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.83E+3	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 using S-2222 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50365116 (CHEMBL1952401) Show SMILES CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-5-9-21(30)10-6-19)22-11-14-24-25(15-22)39-29(2,17-33(24)3)18-38-23-12-7-20(8-13-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Displacement of biotinylated fibrinogen from human alpha5-beta3 receptor after 2 hrs by chemiluminescence assay				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50365116 (CHEMBL1952401) Show SMILES CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-5-9-21(30)10-6-19)22-11-14-24-25(15-22)39-29(2,17-33(24)3)18-38-23-12-7-20(8-13-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Displacement of biotinylated fibrinogen from human alpha2b-beta3 receptor after 2 hrs by chemiluminescence assay				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair