BDBM50365118 CHEMBL1952403

SMILES: CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2ccc(cc12)N(CC(O)=O)Cc1cccc(F)c1

InChI Key: InChIKey=OZOYOUYRWGCHFM-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 = 50365118   

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))	BDBM50365118 (CHEMBL1952403) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2ccc(cc12)N(CC(O)=O)Cc1cccc(F)c1 Show InChI InChI=1S/C27H29FN4O4/c1-27(17-35-22-9-6-19(7-10-22)26(29)30)16-31(2)23-13-21(8-11-24(23)36-27)32(15-25(33)34)14-18-4-3-5-20(28)12-18/h3-13H,14-17H2,1-2H3,(H3,29,30)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	670	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))	BDBM50365118 (CHEMBL1952403) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2ccc(cc12)N(CC(O)=O)Cc1cccc(F)c1 Show InChI InChI=1S/C27H29FN4O4/c1-27(17-35-22-9-6-19(7-10-22)26(29)30)16-31(2)23-13-21(8-11-24(23)36-27)32(15-25(33)34)14-18-4-3-5-20(28)12-18/h3-13H,14-17H2,1-2H3,(H3,29,30)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60E+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))	BDBM50365118 (CHEMBL1952403) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2ccc(cc12)N(CC(O)=O)Cc1cccc(F)c1 Show InChI InChI=1S/C27H29FN4O4/c1-27(17-35-22-9-6-19(7-10-22)26(29)30)16-31(2)23-13-21(8-11-24(23)36-27)32(15-25(33)34)14-18-4-3-5-20(28)12-18/h3-13H,14-17H2,1-2H3,(H3,29,30)(H,33,34)	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))	BDBM50365118 (CHEMBL1952403) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2ccc(cc12)N(CC(O)=O)Cc1cccc(F)c1 Show InChI InChI=1S/C27H29FN4O4/c1-27(17-35-22-9-6-19(7-10-22)26(29)30)16-31(2)23-13-21(8-11-24(23)36-27)32(15-25(33)34)14-18-4-3-5-20(28)12-18/h3-13H,14-17H2,1-2H3,(H3,29,30)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	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