BDBM50083541 1-{4-[5-amino(imino)methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylcarbonyl]hexahydro-1-pyrazinyl}-2-[4-(2-{4-[5-amino(imino)methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylcarbonyl]hexahydro-1-pyrazinyl}-2-oxoethoxy)phenoxy]-1-ethanone::CHEMBL112197

SMILES: NC(=N)N1CCc2sc(cc2C1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cc3CN(CCc3s2)C(N)=N)cc1

InChI Key: InChIKey=PODYAQNNRUPOOJ-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 = 50083541   

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
Tryptase (Homo sapiens (Human))	BDBM50083541 (1-{4-[5-amino(imino)methyl-4,5,6,7-tetrahydrothien...) Show SMILES NC(=N)N1CCc2sc(cc2C1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cc3CN(CCc3s2)C(N)=N)cc1 Show InChI InChI=1S/C36H44N10O6S2/c37-35(38)45-7-5-27-23(19-45)17-29(53-27)33(49)43-13-9-41(10-14-43)31(47)21-51-25-1-2-26(4-3-25)52-22-32(48)42-11-15-44(16-12-42)34(50)30-18-24-20-46(36(39)40)8-6-28(24)54-30/h1-4,17-18H,5-16,19-22H2,(H3,37,38)(H3,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, LTD. Curated by ChEMBL					Assay Description Inhibition of tryptase activity				Bioorg Med Chem Lett 9: 3285-90 (2000) BindingDB Entry DOI: 10.7270/Q2TX3DK3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083541 (1-{4-[5-amino(imino)methyl-4,5,6,7-tetrahydrothien...) Show SMILES NC(=N)N1CCc2sc(cc2C1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cc3CN(CCc3s2)C(N)=N)cc1 Show InChI InChI=1S/C36H44N10O6S2/c37-35(38)45-7-5-27-23(19-45)17-29(53-27)33(49)43-13-9-41(10-14-43)31(47)21-51-25-1-2-26(4-3-25)52-22-32(48)42-11-15-44(16-12-42)34(50)30-18-24-20-46(36(39)40)8-6-28(24)54-30/h1-4,17-18H,5-16,19-22H2,(H3,37,38)(H3,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, LTD. Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 3285-90 (2000) BindingDB Entry DOI: 10.7270/Q2TX3DK3
					More data for this Ligand-Target Pair