BDBM50282873 4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmethyl)-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one::CHEMBL50830

SMILES: CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O

InChI Key: InChIKey=UHUIYQVVRQZLAU-UHFFFAOYSA-N

Data: 4 KI  2 K_off  3 K_on

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 7 hits for monomerid = 50282873   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50282873 (4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...) Show SMILES CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C19H19N5O3S2/c1-3-13(2)15-10-7-11-16-17(15)18(25)23(29(16,26)27)12-28-19-20-21-22-24(19)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant				Bioorg Med Chem Lett 4: 1801-1806 (1994) Article DOI: 10.1016/S0960-894X(01)80374-7 BindingDB Entry DOI: 10.7270/Q25M65PP
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50282873 (4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...) Show SMILES CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C19H19N5O3S2/c1-3-13(2)15-10-7-11-16-17(15)18(25)23(29(16,26)27)12-28-19-20-21-22-24(19)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ratio of Koff to that of Kon was determined on human leukocyte elastase(HLE)				Bioorg Med Chem Lett 5: 331-336 (1995) Article DOI: 10.1016/0960-894X(95)00030-W BindingDB Entry DOI: 10.7270/Q2SX6D60
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50282873 (4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...) Show SMILES CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C19H19N5O3S2/c1-3-13(2)15-10-7-11-16-17(15)18(25)23(29(16,26)27)12-28-19-20-21-22-24(19)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.600	n/a	n/a	n/a	n/a	n/a	9.40E+4	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding constant Ki=Kon/Koff				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Pancreatic elastase (Sus scrofa)	BDBM50282873 (4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...) Show SMILES CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C19H19N5O3S2/c1-3-13(2)15-10-7-11-16-17(15)18(25)23(29(16,26)27)12-28-19-20-21-22-24(19)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding constant Ki=Kon/Koff				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50282873 (4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...) Show SMILES CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C19H19N5O3S2/c1-3-13(2)15-10-7-11-16-17(15)18(25)23(29(16,26)27)12-28-19-20-21-22-24(19)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	0.0000560	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Bioorg Med Chem Lett 5: 331-336 (1995) Article DOI: 10.1016/0960-894X(95)00030-W BindingDB Entry DOI: 10.7270/Q2SX6D60
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50282873 (4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...) Show SMILES CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C19H19N5O3S2/c1-3-13(2)15-10-7-11-16-17(15)18(25)23(29(16,26)27)12-28-19-20-21-22-24(19)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	n/a	9.40E+4	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50282873 (4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...) Show SMILES CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C19H19N5O3S2/c1-3-13(2)15-10-7-11-16-17(15)18(25)23(29(16,26)27)12-28-19-20-21-22-24(19)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	0.0000560	9.40E+4	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Bioorg Med Chem Lett 5: 331-336 (1995) Article DOI: 10.1016/0960-894X(95)00030-W BindingDB Entry DOI: 10.7270/Q2SX6D60
					More data for this Ligand-Target Pair