BDBM211907 US9290459, 48.1::US9670166, 48.4

SMILES: CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2(CC2)C#N)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N

InChI Key: InChIKey=WYXABGMUUKQSEB-HSZRJFAPSA-N

Data: 3 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 = 211907   

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))	BDBM211907 (US9290459, 48.1 | US9670166, 48.4) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2(CC2)C#N)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:25| Show InChI InChI=1S/C27H20F3N5O5S/c1-41(39,40)21-11-15(13-31)5-6-18(21)23-22-19(7-8-20(22)36)34(17-4-2-3-16(12-17)27(28,29)30)25(38)35(23)24(37)33-26(14-32)9-10-26/h2-6,11-12,23H,7-10H2,1H3,(H,33,37)/t23-/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	<1	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
Leukocyte elastase (Homo sapiens (Human))	BDBM211907 (US9290459, 48.1 | US9670166, 48.4) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2(CC2)C#N)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:25| Show InChI InChI=1S/C27H20F3N5O5S/c1-41(39,40)21-11-15(13-31)5-6-18(21)23-22-19(7-8-20(22)36)34(17-4-2-3-16(12-17)27(28,29)30)25(38)35(23)24(37)33-26(14-32)9-10-26/h2-6,11-12,23H,7-10H2,1H3,(H,33,37)/t23-/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	<1	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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM211907 (US9290459, 48.1 | US9670166, 48.4) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2(CC2)C#N)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:25| Show InChI InChI=1S/C27H20F3N5O5S/c1-41(39,40)21-11-15(13-31)5-6-18(21)23-22-19(7-8-20(22)36)34(17-4-2-3-16(12-17)27(28,29)30)25(38)35(23)24(37)33-26(14-32)9-10-26/h2-6,11-12,23H,7-10H2,1H3,(H,33,37)/t23-/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	<1	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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					More data for this Ligand-Target Pair