BDBM50255789 CHEMBL474257::N-[1-(2S-Ethyl-4-oxo-tetrahydro-furan-3S-ylcarbamoyl)-2S-(1-methyl-cyclopentyl)-ethyl]-4-(4-isopropyl-thiazole-2-sulfonylamino)-benzamide

SMILES: CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nc(cs2)C(C)C)cc1

InChI Key: InChIKey=QUIQWGISSRRKQP-NKKJXINNSA-N

Data: 3 KI

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 = 50255789   

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))	BDBM50255789 (CHEMBL474257 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...) Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nc(cs2)C(C)C)cc1 |r| Show InChI InChI=1S/C28H38N4O6S2/c1-5-23-24(22(33)15-38-23)31-26(35)20(14-28(4)12-6-7-13-28)29-25(34)18-8-10-19(11-9-18)32-40(36,37)27-30-21(16-39-27)17(2)3/h8-11,16-17,20,23-24,32H,5-7,12-15H2,1-4H3,(H,29,34)(H,31,35)/t20-,23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay				Bioorg Med Chem 17: 1307-24 (2009) Article DOI: 10.1016/j.bmc.2008.12.020 BindingDB Entry DOI: 10.7270/Q2GX4BD9
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50255789 (CHEMBL474257 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...) Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nc(cs2)C(C)C)cc1 |r| Show InChI InChI=1S/C28H38N4O6S2/c1-5-23-24(22(33)15-38-23)31-26(35)20(14-28(4)12-6-7-13-28)29-25(34)18-8-10-19(11-9-18)32-40(36,37)27-30-21(16-39-27)17(2)3/h8-11,16-17,20,23-24,32H,5-7,12-15H2,1-4H3,(H,29,34)(H,31,35)/t20-,23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay				Bioorg Med Chem 17: 1307-24 (2009) Article DOI: 10.1016/j.bmc.2008.12.020 BindingDB Entry DOI: 10.7270/Q2GX4BD9
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50255789 (CHEMBL474257 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...) Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nc(cs2)C(C)C)cc1 |r| Show InChI InChI=1S/C28H38N4O6S2/c1-5-23-24(22(33)15-38-23)31-26(35)20(14-28(4)12-6-7-13-28)29-25(34)18-8-10-19(11-9-18)32-40(36,37)27-30-21(16-39-27)17(2)3/h8-11,16-17,20,23-24,32H,5-7,12-15H2,1-4H3,(H,29,34)(H,31,35)/t20-,23-,24+/m0/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	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of human cathepsin L by fluorescence assay				Bioorg Med Chem 17: 1307-24 (2009) Article DOI: 10.1016/j.bmc.2008.12.020 BindingDB Entry DOI: 10.7270/Q2GX4BD9
					More data for this Ligand-Target Pair