BDBM210845 US9290467, 15

SMILES: CC1(C)CC2N(C1)CC\C=C\COc1ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc1Cl

InChI Key: InChIKey=YQNUJUMKAQIILV-RDDUPGIKSA-N

Data: 1 IC50

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 1 hit for monomerid = 210845   

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
Procathepsin L (Homo sapiens (Human))	BDBM210845 (US9290467, 15) Show SMILES CC1(C)CC2N(C1)CC\C=C\COc1ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc1Cl |r,t:10| Show InChI InChI=1S/C25H31ClN4O3/c1-24(2)14-20-23(32)28-19(22(31)29-25(15-27)8-9-25)13-17-6-7-21(18(26)12-17)33-11-5-3-4-10-30(20)16-24/h3,5-7,12,19-20H,4,8-11,13-14,16H2,1-2H3,(H,28,32)(H,29,31)/b5-3+/t19-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	168	n/a	n/a	n/a	n/a	6.5	n/a
HOFFMANN—LA ROCHE INC. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US9290467 (2016) BindingDB Entry DOI: 10.7270/Q2H130VZ
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