BDBM50255731 CHEMBL482218::N-[1-(2S-Ethyl-4-oxo-tetrahydro-furan-3S-ylcarbamoyl)-2S-(1-methyl-cyclopentyl)-ethyl]-4-(thiophene-2-sulfonylamino)-benzamide

SMILES: CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1

InChI Key: InChIKey=KODUWBVRDNFSES-IEIRFRATSA-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 = 50255731   

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))	BDBM50255731 (CHEMBL482218 | 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)c2cccs2)cc1 |r| Show InChI InChI=1S/C26H33N3O6S2/c1-3-21-23(20(30)16-35-21)28-25(32)19(15-26(2)12-4-5-13-26)27-24(31)17-8-10-18(11-9-17)29-37(33,34)22-7-6-14-36-22/h6-11,14,19,21,23,29H,3-5,12-13,15-16H2,1-2H3,(H,27,31)(H,28,32)/t19-,21-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	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))	BDBM50255731 (CHEMBL482218 | 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)c2cccs2)cc1 |r| Show InChI InChI=1S/C26H33N3O6S2/c1-3-21-23(20(30)16-35-21)28-25(32)19(15-26(2)12-4-5-13-26)27-24(31)17-8-10-18(11-9-17)29-37(33,34)22-7-6-14-36-22/h6-11,14,19,21,23,29H,3-5,12-13,15-16H2,1-2H3,(H,27,31)(H,28,32)/t19-,21-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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))	BDBM50255731 (CHEMBL482218 | 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)c2cccs2)cc1 |r| Show InChI InChI=1S/C26H33N3O6S2/c1-3-21-23(20(30)16-35-21)28-25(32)19(15-26(2)12-4-5-13-26)27-24(31)17-8-10-18(11-9-17)29-37(33,34)22-7-6-14-36-22/h6-11,14,19,21,23,29H,3-5,12-13,15-16H2,1-2H3,(H,27,31)(H,28,32)/t19-,21-,23+/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	1.30E+4	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