BDBM331584 N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2H-furo[3,2-b]pyrrol-4(5H)-yl)- 1-cyclohexyl-2-oxoethyl)-5-(pyridin-4- yl)thiazole-2-carboxamide::US9725459, 49

SMILES: Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccncc1)C1CCCCC1

InChI Key: InChIKey=OMLSDHLIAQMOAZ-KCUHQSDYSA-N

Data: 2 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 2 hits for monomerid = 331584   

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 K (Homo sapiens (Human))	BDBM331584 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccncc1)C1CCCCC1 Show InChI InChI=1S/C23H25ClN4O4S/c24-15-11-28(19-16(29)12-32-20(15)19)23(31)18(14-4-2-1-3-5-14)27-21(30)22-26-10-17(33-22)13-6-8-25-9-7-13/h6-10,14-15,18-20H,1-5,11-12H2,(H,27,30)/t15-,18-,19+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM331584 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccncc1)C1CCCCC1 Show InChI InChI=1S/C23H25ClN4O4S/c24-15-11-28(19-16(29)12-32-20(15)19)23(31)18(14-4-2-1-3-5-14)27-21(30)22-26-10-17(33-22)13-6-8-25-9-7-13/h6-10,14-15,18-20H,1-5,11-12H2,(H,27,30)/t15-,18-,19+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	376	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair