BDBM331540 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)thiophene-2-carboxamide (3)::US9725459, 3

SMILES: O[C@H]1CO[C@@H]2[C@@H](Cl)CN([C@H]12)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccncc1)C1CCCCC1

InChI Key: InChIKey=UDGAMABNKKQXCJ-ZBWQPJPKSA-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 = 331540   

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))	BDBM331540 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...) Show SMILES O[C@H]1CO[C@@H]2[C@@H](Cl)CN([C@H]12)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccncc1)C1CCCCC1 |r| Show InChI InChI=1S/C24H28ClN3O4S/c25-16-12-28(21-17(29)13-32-22(16)21)24(31)20(15-4-2-1-3-5-15)27-23(30)19-7-6-18(33-19)14-8-10-26-11-9-14/h6-11,15-17,20-22,29H,1-5,12-13H2,(H,27,30)/t16-,17-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	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))	BDBM331540 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...) Show SMILES O[C@H]1CO[C@@H]2[C@@H](Cl)CN([C@H]12)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccncc1)C1CCCCC1 |r| Show InChI InChI=1S/C24H28ClN3O4S/c25-16-12-28(21-17(29)13-32-22(16)21)24(31)20(15-4-2-1-3-5-15)27-23(30)19-7-6-18(33-19)14-8-10-26-11-9-14/h6-11,15-17,20-22,29H,1-5,12-13H2,(H,27,30)/t16-,17-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	103	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