BDBM211812 US9290459, 29::US9475779, D.1A

SMILES: CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N

InChI Key: InChIKey=CTAOATNVUQNVBF-HXUWFJFHSA-N

Data: 4 IC50  1 EC50

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 5 hits for monomerid = 211812   

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))	BDBM211812 (US9290459, 29 | US9475779, D.1A) Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:3| Show InChI InChI=1S/C22H17F3N4O4S/c1-28-20(14-4-3-12(11-26)9-17(14)34(2,32)33)19-15(5-6-16(19)30)29(21(28)31)13-7-8-27-18(10-13)22(23,24)25/h3-4,7-10,20H,5-6H2,1-2H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM211812 (US9290459, 29 | US9475779, D.1A) Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:3| Show InChI InChI=1S/C22H17F3N4O4S/c1-28-20(14-4-3-12(11-26)9-17(14)34(2,32)33)19-15(5-6-16(19)30)29(21(28)31)13-7-8-27-18(10-13)22(23,24)25/h3-4,7-10,20H,5-6H2,1-2H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM211812 (US9290459, 29 | US9475779, D.1A) Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:3| Show InChI InChI=1S/C22H17F3N4O4S/c1-28-20(14-4-3-12(11-26)9-17(14)34(2,32)33)19-15(5-6-16(19)30)29(21(28)31)13-7-8-27-18(10-13)22(23,24)25/h3-4,7-10,20H,5-6H2,1-2H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of the hERG (human ether-a-go-go-related gene) potassium channel can be determined as described in Rast, G., & Guth, B. D., Journal of...				US Patent US9475779 (2016) BindingDB Entry DOI: 10.7270/Q2QJ7G77
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM211812 (US9290459, 29 | US9475779, D.1A) Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:3| Show InChI InChI=1S/C22H17F3N4O4S/c1-28-20(14-4-3-12(11-26)9-17(14)34(2,32)33)19-15(5-6-16(19)30)29(21(28)31)13-7-8-27-18(10-13)22(23,24)25/h3-4,7-10,20H,5-6H2,1-2H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...				US Patent US9475779 (2016) BindingDB Entry DOI: 10.7270/Q2QJ7G77
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM211812 (US9290459, 29 | US9475779, D.1A) Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:3| Show InChI InChI=1S/C22H17F3N4O4S/c1-28-20(14-4-3-12(11-26)9-17(14)34(2,32)33)19-15(5-6-16(19)30)29(21(28)31)13-7-8-27-18(10-13)22(23,24)25/h3-4,7-10,20H,5-6H2,1-2H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...				US Patent US9475779 (2016) BindingDB Entry DOI: 10.7270/Q2QJ7G77
					More data for this Ligand-Target Pair