BDBM19504 (2R)-N-(1-cyanocyclopropyl)-3-{[(2,3-difluorophenyl)methane]sulfonyl}-2-{[(1S)-2,2,2-trifluoro-1-phenylethyl]amino}propanamide::trifluoroethylamine inhibitor, 14

SMILES: Fc1cccc(CS(=O)(=O)C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)NC2(CC2)C#N)c1F

InChI Key: InChIKey=LJPQZPJJLKMWAU-HKUYNNGSSA-N

Data: 4 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 4 hits for monomerid = 19504   

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
Cathepsin S (Homo sapiens (Human))	BDBM19504 ((2R)-N-(1-cyanocyclopropyl)-3-{[(2,3-difluoropheny...) Show SMILES Fc1cccc(CS(=O)(=O)C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)NC2(CC2)C#N)c1F |r| Show InChI InChI=1S/C22H20F5N3O3S/c23-16-8-4-7-15(18(16)24)11-34(32,33)12-17(20(31)30-21(13-28)9-10-21)29-19(22(25,26)27)14-5-2-1-3-6-14/h1-8,17,19,29H,9-12H2,(H,30,31)/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	6.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 17: 4929-33 (2007) Article DOI: 10.1016/j.bmcl.2007.06.023 BindingDB Entry DOI: 10.7270/Q26W98C3
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19504 ((2R)-N-(1-cyanocyclopropyl)-3-{[(2,3-difluoropheny...) Show SMILES Fc1cccc(CS(=O)(=O)C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)NC2(CC2)C#N)c1F |r| Show InChI InChI=1S/C22H20F5N3O3S/c23-16-8-4-7-15(18(16)24)11-34(32,33)12-17(20(31)30-21(13-28)9-10-21)29-19(22(25,26)27)14-5-2-1-3-6-14/h1-8,17,19,29H,9-12H2,(H,30,31)/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 17: 4929-33 (2007) Article DOI: 10.1016/j.bmcl.2007.06.023 BindingDB Entry DOI: 10.7270/Q26W98C3
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19504 ((2R)-N-(1-cyanocyclopropyl)-3-{[(2,3-difluoropheny...) Show SMILES Fc1cccc(CS(=O)(=O)C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)NC2(CC2)C#N)c1F |r| Show InChI InChI=1S/C22H20F5N3O3S/c23-16-8-4-7-15(18(16)24)11-34(32,33)12-17(20(31)30-21(13-28)9-10-21)29-19(22(25,26)27)14-5-2-1-3-6-14/h1-8,17,19,29H,9-12H2,(H,30,31)/t17-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 17: 4929-33 (2007) Article DOI: 10.1016/j.bmcl.2007.06.023 BindingDB Entry DOI: 10.7270/Q26W98C3
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM19504 ((2R)-N-(1-cyanocyclopropyl)-3-{[(2,3-difluoropheny...) Show SMILES Fc1cccc(CS(=O)(=O)C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)NC2(CC2)C#N)c1F |r| Show InChI InChI=1S/C22H20F5N3O3S/c23-16-8-4-7-15(18(16)24)11-34(32,33)12-17(20(31)30-21(13-28)9-10-21)29-19(22(25,26)27)14-5-2-1-3-6-14/h1-8,17,19,29H,9-12H2,(H,30,31)/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 17: 4929-33 (2007) Article DOI: 10.1016/j.bmcl.2007.06.023 BindingDB Entry DOI: 10.7270/Q26W98C3
					More data for this Ligand-Target Pair