BDBM50255681 CHEMBL473448::N-[1-(2S-Ethyl-4-oxo-tetrahydro-furan-3S-ylcarbamoyl)-2S-(1-methyl-cyclopentyl)-ethyl]-4-(4-methyl-pyridine-3-sulfonylamino)-benzamide

SMILES: CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cnccc2C)cc1

InChI Key: InChIKey=DCDFVKDUIGKXRF-UMXIMWEHSA-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 = 50255681   

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))	BDBM50255681 (CHEMBL473448 | 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)c2cnccc2C)cc1 |r| Show InChI InChI=1S/C28H36N4O6S/c1-4-23-25(22(33)17-38-23)31-27(35)21(15-28(3)12-5-6-13-28)30-26(34)19-7-9-20(10-8-19)32-39(36,37)24-16-29-14-11-18(24)2/h7-11,14,16,21,23,25,32H,4-6,12-13,15,17H2,1-3H3,(H,30,34)(H,31,35)/t21-,23-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	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))	BDBM50255681 (CHEMBL473448 | 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)c2cnccc2C)cc1 |r| Show InChI InChI=1S/C28H36N4O6S/c1-4-23-25(22(33)17-38-23)31-27(35)21(15-28(3)12-5-6-13-28)30-26(34)19-7-9-20(10-8-19)32-39(36,37)24-16-29-14-11-18(24)2/h7-11,14,16,21,23,25,32H,4-6,12-13,15,17H2,1-3H3,(H,30,34)(H,31,35)/t21-,23-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	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))	BDBM50255681 (CHEMBL473448 | 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)c2cnccc2C)cc1 |r| Show InChI InChI=1S/C28H36N4O6S/c1-4-23-25(22(33)17-38-23)31-27(35)21(15-28(3)12-5-6-13-28)30-26(34)19-7-9-20(10-8-19)32-39(36,37)24-16-29-14-11-18(24)2/h7-11,14,16,21,23,25,32H,4-6,12-13,15,17H2,1-3H3,(H,30,34)(H,31,35)/t21-,23-,25+/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	8.70E+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 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