BDBM50365129 CHEMBL1949836

SMILES: CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(CC(O)=O)Cc1cc(F)cc(F)c1

InChI Key: InChIKey=SYRXHQFSPNRAIY-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 = 50365129   

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))	BDBM50365129 (CHEMBL1949836) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(CC(O)=O)Cc1cc(F)cc(F)c1 Show InChI InChI=1S/C27H28F2N4O4/c1-27(16-36-22-6-3-18(4-7-22)26(30)31)15-32(2)23-8-5-21(12-24(23)37-27)33(14-25(34)35)13-17-9-19(28)11-20(29)10-17/h3-12H,13-16H2,1-2H3,(H3,30,31)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	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))	BDBM50365129 (CHEMBL1949836) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(CC(O)=O)Cc1cc(F)cc(F)c1 Show InChI InChI=1S/C27H28F2N4O4/c1-27(16-36-22-6-3-18(4-7-22)26(30)31)15-32(2)23-8-5-21(12-24(23)37-27)33(14-25(34)35)13-17-9-19(28)11-20(29)10-17/h3-12H,13-16H2,1-2H3,(H3,30,31)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+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))	BDBM50365129 (CHEMBL1949836) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(CC(O)=O)Cc1cc(F)cc(F)c1 Show InChI InChI=1S/C27H28F2N4O4/c1-27(16-36-22-6-3-18(4-7-22)26(30)31)15-32(2)23-8-5-21(12-24(23)37-27)33(14-25(34)35)13-17-9-19(28)11-20(29)10-17/h3-12H,13-16H2,1-2H3,(H3,30,31)(H,34,35)	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))	BDBM50365129 (CHEMBL1949836) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(CC(O)=O)Cc1cc(F)cc(F)c1 Show InChI InChI=1S/C27H28F2N4O4/c1-27(16-36-22-6-3-18(4-7-22)26(30)31)15-32(2)23-8-5-21(12-24(23)37-27)33(14-25(34)35)13-17-9-19(28)11-20(29)10-17/h3-12H,13-16H2,1-2H3,(H3,30,31)(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	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