BDBM331608 N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2H-furo[3,2-b]pyrrol-4(5H)-yl)- 1-cyclohexyl-2-oxoethyl)-5-(5-ethylpyridazin- 3-yl)thiophene-2-carboxamide::US9725459, 73

SMILES: CCc1cnnc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12

InChI Key: InChIKey=NIILIYWHNBVXGZ-SVCSISOJSA-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 = 331608   

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))	BDBM331608 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES CCc1cnnc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C25H29ClN4O4S/c1-2-14-10-17(29-27-11-14)19-8-9-20(35-19)24(32)28-21(15-6-4-3-5-7-15)25(33)30-12-16(26)23-22(30)18(31)13-34-23/h8-11,15-16,21-23H,2-7,12-13H2,1H3,(H,28,32)/t16-,21-,22+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	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 K (Homo sapiens (Human))	BDBM331608 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES CCc1cnnc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C25H29ClN4O4S/c1-2-14-10-17(29-27-11-14)19-8-9-20(35-19)24(32)28-21(15-6-4-3-5-7-15)25(33)30-12-16(26)23-22(30)18(31)13-34-23/h8-11,15-16,21-23H,2-7,12-13H2,1H3,(H,28,32)/t16-,21-,22+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	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