BDBM50016531 CHEMBL3277928

SMILES: Cl.NC(=N)c1ccc(COc2ccc3cc(OCc4ccc(cc4)C(N)=N)ccc3c2)cc1

InChI Key: InChIKey=QNBLZNJEXJLNLB-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50016531   

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))	BDBM50016531 (CHEMBL3277928) Show SMILES Cl.NC(=N)c1ccc(COc2ccc3cc(OCc4ccc(cc4)C(N)=N)ccc3c2)cc1 Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)19-5-1-17(2-6-19)15-31-23-11-9-22-14-24(12-10-21(22)13-23)32-16-18-3-7-20(8-4-18)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.00E+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)	BDBM50016531 (CHEMBL3277928) Show SMILES Cl.NC(=N)c1ccc(COc2ccc3cc(OCc4ccc(cc4)C(N)=N)ccc3c2)cc1 Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)19-5-1-17(2-6-19)15-31-23-11-9-22-14-24(12-10-21(22)13-23)32-16-18-3-7-20(8-4-18)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.70E+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