BDBM50016524 CHEMBL3277919

SMILES: Cl.NC(=N)c1cccc(OCc2ccc(COc3cccc(c3)C(N)=N)cc2)c1

InChI Key: InChIKey=NWRTUHFHGDAFSR-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 = 50016524   

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 (Bos taurus (Bovine))	BDBM50016524 (CHEMBL3277919) Show SMILES Cl.NC(=N)c1cccc(OCc2ccc(COc3cccc(c3)C(N)=N)cc2)c1 Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-3-1-5-19(11-17)27-13-15-7-9-16(10-8-15)14-28-20-6-2-4-18(12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+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)	BDBM50016524 (CHEMBL3277919) Show SMILES Cl.NC(=N)c1cccc(OCc2ccc(COc3cccc(c3)C(N)=N)cc2)c1 Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-3-1-5-19(11-17)27-13-15-7-9-16(10-8-15)14-28-20-6-2-4-18(12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80E+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))	BDBM50016524 (CHEMBL3277919) Show SMILES Cl.NC(=N)c1cccc(OCc2ccc(COc3cccc(c3)C(N)=N)cc2)c1 Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-3-1-5-19(11-17)27-13-15-7-9-16(10-8-15)14-28-20-6-2-4-18(12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+4	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