BDBM50131981 CHEMBL340098::N-{[1-(Benzothiazole-2-carbonyl)-4-guanidino-butylcarbamoyl]-methyl}-acetamide; TFA

SMILES: CC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1

InChI Key: InChIKey=BWCCNYCMGLDNHH-LBPRGKRZSA-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 = 50131981   

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
Trypsin-1 (Homo sapiens (Human))	BDBM50131981 (CHEMBL340098 | N-{[1-(Benzothiazole-2-carbonyl)-4-...) Show SMILES CC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C17H22N6O3S/c1-10(24)21-9-14(25)22-12(6-4-8-20-17(18)19)15(26)16-23-11-5-2-3-7-13(11)27-16/h2-3,5,7,12H,4,6,8-9H2,1H3,(H,21,24)(H,22,25)(H4,18,19,20)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description In vitro inhibition of bovine trypsin.				J Med Chem 46: 3865-76 (2003) Article DOI: 10.1021/jm030050p BindingDB Entry DOI: 10.7270/Q23T9J0V
					More data for this Ligand-Target Pair
Tryptase (Homo sapiens (Human))	BDBM50131981 (CHEMBL340098 | N-{[1-(Benzothiazole-2-carbonyl)-4-...) Show SMILES CC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C17H22N6O3S/c1-10(24)21-9-14(25)22-12(6-4-8-20-17(18)19)15(26)16-23-11-5-2-3-7-13(11)27-16/h2-3,5,7,12H,4,6,8-9H2,1H3,(H,21,24)(H,22,25)(H4,18,19,20)/t12-/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	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description In vitro inhibition of human Tryptase beta.				J Med Chem 46: 3865-76 (2003) Article DOI: 10.1021/jm030050p BindingDB Entry DOI: 10.7270/Q23T9J0V
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50131981 (CHEMBL340098 | N-{[1-(Benzothiazole-2-carbonyl)-4-...) Show SMILES CC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C17H22N6O3S/c1-10(24)21-9-14(25)22-12(6-4-8-20-17(18)19)15(26)16-23-11-5-2-3-7-13(11)27-16/h2-3,5,7,12H,4,6,8-9H2,1H3,(H,21,24)(H,22,25)(H4,18,19,20)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Beta-Trypsin inhibitory activity of compound was determined				J Med Chem 46: 3865-76 (2003) Article DOI: 10.1021/jm030050p BindingDB Entry DOI: 10.7270/Q23T9J0V
					More data for this Ligand-Target Pair