BDBM50016539 CHEMBL3277936

SMILES: Cl.NC(=N)c1cccc(OCc2cccc(c2)-c2cccc(COc3cccc(c3)C(N)=N)c2)c1

InChI Key: InChIKey=NCSWBYNRWMDSKX-UHFFFAOYSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50016539   

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
Thrombin (Bos taurus (Bovine))	BDBM50016539 (CHEMBL3277936) Show SMILES Cl.NC(=N)c1cccc(OCc2cccc(c2)-c2cccc(COc3cccc(c3)C(N)=N)c2)c1 Show InChI InChI=1S/C28H26N4O2.ClH/c29-27(30)23-9-3-11-25(15-23)33-17-19-5-1-7-21(13-19)22-8-2-6-20(14-22)18-34-26-12-4-10-24(16-26)28(31)32;/h1-16H,17-18H2,(H3,29,30)(H3,31,32);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins				J Med Chem 19: 634-9 (1976) BindingDB Entry DOI: 10.7270/Q2KD20FM
					More data for this Ligand-Target Pair
Glandular kallikrein (Sus scrofa)	BDBM50016539 (CHEMBL3277936) Show SMILES Cl.NC(=N)c1cccc(OCc2cccc(c2)-c2cccc(COc3cccc(c3)C(N)=N)c2)c1 Show InChI InChI=1S/C28H26N4O2.ClH/c29-27(30)23-9-3-11-25(15-23)33-17-19-5-1-7-21(13-19)22-8-2-6-20(14-22)18-34-26-12-4-10-24(16-26)28(31)32;/h1-16H,17-18H2,(H3,29,30)(H3,31,32);1H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins				J Med Chem 19: 634-9 (1976) BindingDB Entry DOI: 10.7270/Q2KD20FM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50016539 (CHEMBL3277936) Show SMILES Cl.NC(=N)c1cccc(OCc2cccc(c2)-c2cccc(COc3cccc(c3)C(N)=N)c2)c1 Show InChI InChI=1S/C28H26N4O2.ClH/c29-27(30)23-9-3-11-25(15-23)33-17-19-5-1-7-21(13-19)22-8-2-6-20(14-22)18-34-26-12-4-10-24(16-26)28(31)32;/h1-16H,17-18H2,(H3,29,30)(H3,31,32);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen				J Med Chem 19: 634-9 (1976) BindingDB Entry DOI: 10.7270/Q2KD20FM
					More data for this Ligand-Target Pair