BDBM50365132 CHEMBL1949839

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

InChI Key: InChIKey=YQAXDHLSWUXESO-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 = 50365132   

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))	BDBM50365132 (CHEMBL1949839) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1cc(F)cc(F)c1)C(=O)C(O)=O Show InChI InChI=1S/C27H26F2N4O5/c1-27(15-37-21-6-3-17(4-7-21)24(30)31)14-32(2)22-8-5-20(12-23(22)38-27)33(25(34)26(35)36)13-16-9-18(28)11-19(29)10-16/h3-12H,13-15H2,1-2H3,(H3,30,31)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	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))	BDBM50365132 (CHEMBL1949839) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1cc(F)cc(F)c1)C(=O)C(O)=O Show InChI InChI=1S/C27H26F2N4O5/c1-27(15-37-21-6-3-17(4-7-21)24(30)31)14-32(2)22-8-5-20(12-23(22)38-27)33(25(34)26(35)36)13-16-9-18(28)11-19(29)10-16/h3-12H,13-15H2,1-2H3,(H3,30,31)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+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))	BDBM50365132 (CHEMBL1949839) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1cc(F)cc(F)c1)C(=O)C(O)=O Show InChI InChI=1S/C27H26F2N4O5/c1-27(15-37-21-6-3-17(4-7-21)24(30)31)14-32(2)22-8-5-20(12-23(22)38-27)33(25(34)26(35)36)13-16-9-18(28)11-19(29)10-16/h3-12H,13-15H2,1-2H3,(H3,30,31)(H,35,36)	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))	BDBM50365132 (CHEMBL1949839) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1cc(F)cc(F)c1)C(=O)C(O)=O Show InChI InChI=1S/C27H26F2N4O5/c1-27(15-37-21-6-3-17(4-7-21)24(30)31)14-32(2)22-8-5-20(12-23(22)38-27)33(25(34)26(35)36)13-16-9-18(28)11-19(29)10-16/h3-12H,13-15H2,1-2H3,(H3,30,31)(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+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