null

SMILES: CC(C)(C)n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N

InChI Key: InChIKey=BTDDMUHPSLOMLQ-AWEZNQCLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50263635   

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
Procathepsin L (Homo sapiens (Human))	BDBM50263635 (CHEMBL4065483) Show SMILES CC(C)(C)n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C21H22ClF3N6O3/c1-19(2,3)31-27-10-15(30-31)17(32)28-14(18(33)29-20(11-26)6-7-20)9-12-4-5-16(13(22)8-12)34-21(23,24)25/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,28,32)(H,29,33)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263635 (CHEMBL4065483) Show SMILES CC(C)(C)n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C21H22ClF3N6O3/c1-19(2,3)31-27-10-15(30-31)17(32)28-14(18(33)29-20(11-26)6-7-20)9-12-4-5-16(13(22)8-12)34-21(23,24)25/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,28,32)(H,29,33)/t14-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50263635 (CHEMBL4065483) Show SMILES CC(C)(C)n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C21H22ClF3N6O3/c1-19(2,3)31-27-10-15(30-31)17(32)28-14(18(33)29-20(11-26)6-7-20)9-12-4-5-16(13(22)8-12)34-21(23,24)25/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,28,32)(H,29,33)/t14-/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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using MFC as substrate by fluorescence assay				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263635 (CHEMBL4065483) Show SMILES CC(C)(C)n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C21H22ClF3N6O3/c1-19(2,3)31-27-10-15(30-31)17(32)28-14(18(33)29-20(11-26)6-7-20)9-12-4-5-16(13(22)8-12)34-21(23,24)25/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,28,32)(H,29,33)/t14-/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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using DBF as substrate by fluorescence assay				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50263635 (CHEMBL4065483) Show SMILES CC(C)(C)n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C21H22ClF3N6O3/c1-19(2,3)31-27-10-15(30-31)17(32)28-14(18(33)29-20(11-26)6-7-20)9-12-4-5-16(13(22)8-12)34-21(23,24)25/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,28,32)(H,29,33)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using AMMC as substrate by fluorescence assay				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair