BDBM50411006 CHEMBL539088

SMILES: NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1

InChI Key: InChIKey=KMIMQODNBHCJJF-SANMLTNESA-N

Data: 3 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 3 hits for monomerid = 50411006   

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))	BDBM50411006 (CHEMBL539088) Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1 |r| Show InChI InChI=1S/C30H29Cl2FN4O4/c31-24-13-6-20(17-25(24)32)14-16-40-23-11-4-19(5-12-23)18-27-36-29(37-41-27)28(38)26(3-1-2-15-34)35-30(39)21-7-9-22(33)10-8-21/h4-13,17,26H,1-3,14-16,18,34H2,(H,35,39)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of human B tryptase				Bioorg Med Chem Lett 16: 3434-9 (2006) Article DOI: 10.1016/j.bmcl.2006.04.013 BindingDB Entry DOI: 10.7270/Q2G44RHP
					More data for this Ligand-Target Pair
Tryptase alpha/beta-1 (Mus musculus)	BDBM50411006 (CHEMBL539088) Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1 |r| Show InChI InChI=1S/C30H29Cl2FN4O4/c31-24-13-6-20(17-25(24)32)14-16-40-23-11-4-19(5-12-23)18-27-36-29(37-41-27)28(38)26(3-1-2-15-34)35-30(39)21-7-9-22(33)10-8-21/h4-13,17,26H,1-3,14-16,18,34H2,(H,35,39)/t26-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	365	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of mouse tryptase				Bioorg Med Chem Lett 16: 3434-9 (2006) Article DOI: 10.1016/j.bmcl.2006.04.013 BindingDB Entry DOI: 10.7270/Q2G44RHP
					More data for this Ligand-Target Pair
Tryptase (Homo sapiens (Human))	BDBM50411006 (CHEMBL539088) Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1 |r| Show InChI InChI=1S/C30H29Cl2FN4O4/c31-24-13-6-20(17-25(24)32)14-16-40-23-11-4-19(5-12-23)18-27-36-29(37-41-27)28(38)26(3-1-2-15-34)35-30(39)21-7-9-22(33)10-8-21/h4-13,17,26H,1-3,14-16,18,34H2,(H,35,39)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of monkey tryptase				Bioorg Med Chem Lett 16: 3434-9 (2006) Article DOI: 10.1016/j.bmcl.2006.04.013 BindingDB Entry DOI: 10.7270/Q2G44RHP
					More data for this Ligand-Target Pair