BDBM50083548 1-{4-[5-amino(imino)methylbenzo[b]furan-2-ylcarbonyl]hexahydro-1-pyrazinyl}-2-[4-(2-{4-[5-amino(imino)methylbenzo[b]furan-2-ylcarbonyl]hexahydro-1-pyrazinyl}-2-oxoethoxy)phenoxy]-1-ethanone::CHEMBL322345

SMILES: NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cc3cc(ccc3o2)C(N)=N)cc1

InChI Key: InChIKey=XBLJTWKIPZEWCV-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 = 50083548   

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))	BDBM50083548 (1-{4-[5-amino(imino)methylbenzo[b]furan-2-ylcarbon...) Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cc3cc(ccc3o2)C(N)=N)cc1 Show InChI InChI=1S/C38H38N8O8/c39-35(40)23-1-7-29-25(17-23)19-31(53-29)37(49)45-13-9-43(10-14-45)33(47)21-51-27-3-5-28(6-4-27)52-22-34(48)44-11-15-46(16-12-44)38(50)32-20-26-18-24(36(41)42)2-8-30(26)54-32/h1-8,17-20H,9-16,21-22H2,(H3,39,40)(H3,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0570	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))	BDBM50083548 (1-{4-[5-amino(imino)methylbenzo[b]furan-2-ylcarbon...) Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cc3cc(ccc3o2)C(N)=N)cc1 Show InChI InChI=1S/C38H38N8O8/c39-35(40)23-1-7-29-25(17-23)19-31(53-29)37(49)45-13-9-43(10-14-45)33(47)21-51-27-3-5-28(6-4-27)52-22-34(48)44-11-15-46(16-12-44)38(50)32-20-26-18-24(36(41)42)2-8-30(26)54-32/h1-8,17-20H,9-16,21-22H2,(H3,39,40)(H3,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+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