BDBM50016533 CHEMBL3277930

SMILES: Cl.NC(=N)c1cccc(OCc2ccc3cc(COc4cccc(c4)C(N)=N)ccc3c2)c1

InChI Key: InChIKey=HIKBSRIKHBEKDQ-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 = 50016533   

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))	BDBM50016533 (CHEMBL3277930) Show SMILES Cl.NC(=N)c1cccc(OCc2ccc3cc(COc4cccc(c4)C(N)=N)ccc3c2)c1 Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)21-3-1-5-23(13-21)31-15-17-7-9-20-12-18(8-10-19(20)11-17)16-32-24-6-2-4-22(14-24)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	5.10E+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)	BDBM50016533 (CHEMBL3277930) Show SMILES Cl.NC(=N)c1cccc(OCc2ccc3cc(COc4cccc(c4)C(N)=N)ccc3c2)c1 Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)21-3-1-5-23(13-21)31-15-17-7-9-20-12-18(8-10-19(20)11-17)16-32-24-6-2-4-22(14-24)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	5.50E+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))	BDBM50016533 (CHEMBL3277930) Show SMILES Cl.NC(=N)c1cccc(OCc2ccc3cc(COc4cccc(c4)C(N)=N)ccc3c2)c1 Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)21-3-1-5-23(13-21)31-15-17-7-9-20-12-18(8-10-19(20)11-17)16-32-24-6-2-4-22(14-24)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.20E+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