BDBM331615 N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2H-furo[3,2-b]pyrrol-4(5H)-yl)- 1-cyclohexyl-2-oxoethyl)-5-(6- hydroxypyridazin-4-yl)thiophene-2- carboxamide::US9725459, 80

SMILES: Oc1cc(cnn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12

InChI Key: InChIKey=LRBLPKQTSFLGSX-CCARFGRDSA-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 = 331615   

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))	BDBM331615 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Oc1cc(cnn1)-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/C23H25ClN4O5S/c24-14-10-28(20-15(29)11-33-21(14)20)23(32)19(12-4-2-1-3-5-12)26-22(31)17-7-6-16(34-17)13-8-18(30)27-25-9-13/h6-9,12,14,19-21H,1-5,10-11H2,(H,26,31)(H,27,30)/t14-,19-,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	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))	BDBM331615 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Oc1cc(cnn1)-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/C23H25ClN4O5S/c24-14-10-28(20-15(29)11-33-21(14)20)23(32)19(12-4-2-1-3-5-12)26-22(31)17-7-6-16(34-17)13-8-18(30)27-25-9-13/h6-9,12,14,19-21H,1-5,10-11H2,(H,26,31)(H,27,30)/t14-,19-,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	42	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