BDBM50140522 CHEMBL283309::N-{4-[(S)-1-Amino-2-((R)-3-fluoro-pyrrolidin-1-yl)-2-oxo-ethyl]-cyclohexyl}-2,4-difluoro-benzenesulfonamide

SMILES: N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1F)C(=O)N1CC[C@@H](F)C1

InChI Key: InChIKey=QTZTUCOZZMQUFY-GDLHICMESA-N

Data: 1 KI  2 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 = 50140522   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50140522 (CHEMBL283309 | N-{4-[(S)-1-Amino-2-((R)-3-fluoro-p...) Show SMILES N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1F)C(=O)N1CC[C@@H](F)C1 |wU:1.0,5.8,25.27,wD:2.7,(5.89,-7.16,;5.89,-5.61,;4.56,-4.84,;4.56,-3.3,;3.22,-2.53,;1.89,-3.3,;1.89,-4.84,;3.22,-5.61,;.54,-2.5,;-.79,-3.27,;-.02,-4.62,;-2.14,-4.04,;-1.56,-1.92,;-.79,-.59,;-1.56,.74,;-3.12,.74,;-3.89,2.08,;-3.89,-.59,;-3.12,-1.92,;-3.89,-3.25,;7.22,-4.84,;7.22,-3.3,;8.55,-5.61,;9.89,-4.84,;11.04,-5.89,;10.41,-7.28,;11.16,-8.61,;8.87,-7.12,)| Show InChI InChI=1S/C18H24F3N3O3S/c19-12-3-6-16(15(21)9-12)28(26,27)23-14-4-1-11(2-5-14)17(22)18(25)24-8-7-13(20)10-24/h3,6,9,11,13-14,17,23H,1-2,4-5,7-8,10,22H2/t11-,13-,14-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound towards human ERG potassium ion channel was determined				Bioorg Med Chem Lett 14: 1265-8 (2004) Article DOI: 10.1016/j.bmcl.2003.12.040 BindingDB Entry DOI: 10.7270/Q2G73D5Q
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50140522 (CHEMBL283309 | N-{4-[(S)-1-Amino-2-((R)-3-fluoro-p...) Show SMILES N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1F)C(=O)N1CC[C@@H](F)C1 |wU:1.0,5.8,25.27,wD:2.7,(5.89,-7.16,;5.89,-5.61,;4.56,-4.84,;4.56,-3.3,;3.22,-2.53,;1.89,-3.3,;1.89,-4.84,;3.22,-5.61,;.54,-2.5,;-.79,-3.27,;-.02,-4.62,;-2.14,-4.04,;-1.56,-1.92,;-.79,-.59,;-1.56,.74,;-3.12,.74,;-3.89,2.08,;-3.89,-.59,;-3.12,-1.92,;-3.89,-3.25,;7.22,-4.84,;7.22,-3.3,;8.55,-5.61,;9.89,-4.84,;11.04,-5.89,;10.41,-7.28,;11.16,-8.61,;8.87,-7.12,)| Show InChI InChI=1S/C18H24F3N3O3S/c19-12-3-6-16(15(21)9-12)28(26,27)23-14-4-1-11(2-5-14)17(22)18(25)24-8-7-13(20)10-24/h3,6,9,11,13-14,17,23H,1-2,4-5,7-8,10,22H2/t11-,13-,14-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human Dipeptidyl-peptidase IV				Bioorg Med Chem Lett 14: 1265-8 (2004) Article DOI: 10.1016/j.bmcl.2003.12.040 BindingDB Entry DOI: 10.7270/Q2G73D5Q
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50140522 (CHEMBL283309 | N-{4-[(S)-1-Amino-2-((R)-3-fluoro-p...) Show SMILES N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1F)C(=O)N1CC[C@@H](F)C1 |wU:1.0,5.8,25.27,wD:2.7,(5.89,-7.16,;5.89,-5.61,;4.56,-4.84,;4.56,-3.3,;3.22,-2.53,;1.89,-3.3,;1.89,-4.84,;3.22,-5.61,;.54,-2.5,;-.79,-3.27,;-.02,-4.62,;-2.14,-4.04,;-1.56,-1.92,;-.79,-.59,;-1.56,.74,;-3.12,.74,;-3.89,2.08,;-3.89,-.59,;-3.12,-1.92,;-3.89,-3.25,;7.22,-4.84,;7.22,-3.3,;8.55,-5.61,;9.89,-4.84,;11.04,-5.89,;10.41,-7.28,;11.16,-8.61,;8.87,-7.12,)| Show InChI InChI=1S/C18H24F3N3O3S/c19-12-3-6-16(15(21)9-12)28(26,27)23-14-4-1-11(2-5-14)17(22)18(25)24-8-7-13(20)10-24/h3,6,9,11,13-14,17,23H,1-2,4-5,7-8,10,22H2/t11-,13-,14-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human quiescent cell proline dipeptidase (QPP) enzyme				Bioorg Med Chem Lett 14: 1265-8 (2004) Article DOI: 10.1016/j.bmcl.2003.12.040 BindingDB Entry DOI: 10.7270/Q2G73D5Q
					More data for this Ligand-Target Pair