BDBM50244510 7-(2,2-dimethylpropyl)-6-[(5-methoxy-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile::CHEMBL452826

SMILES: COc1ccc2N(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)C(=O)C3(CCNCC3)c2c1

InChI Key: InChIKey=KNNCFAJHGHOEJI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50244510   

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))	BDBM50244510 (7-(2,2-dimethylpropyl)-6-[(5-methoxy-2-oxospiro[in...) Show SMILES COc1ccc2N(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)C(=O)C3(CCNCC3)c2c1 Show InChI InChI=1S/C26H30N6O2/c1-25(2,3)16-32-18(11-17-14-29-22(13-27)30-23(17)32)15-31-21-6-5-19(34-4)12-20(21)26(24(31)33)7-9-28-10-8-26/h5-6,11-12,14,28H,7-10,15-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L by fluorescence assay				J Med Chem 51: 5459-62 (2008) Article DOI: 10.1021/jm800626a BindingDB Entry DOI: 10.7270/Q2SF2W0R
					More data for this Ligand-Target Pair
Cathepsin K (Rattus norvegicus)	BDBM50244510 (7-(2,2-dimethylpropyl)-6-[(5-methoxy-2-oxospiro[in...) Show SMILES COc1ccc2N(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)C(=O)C3(CCNCC3)c2c1 Show InChI InChI=1S/C26H30N6O2/c1-25(2,3)16-32-18(11-17-14-29-22(13-27)30-23(17)32)15-31-21-6-5-19(34-4)12-20(21)26(24(31)33)7-9-28-10-8-26/h5-6,11-12,14,28H,7-10,15-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of rat recombinant cathepsin K expressed in Sf21 cells by fluorescence assay				J Med Chem 51: 5459-62 (2008) Article DOI: 10.1021/jm800626a BindingDB Entry DOI: 10.7270/Q2SF2W0R
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50244510 (7-(2,2-dimethylpropyl)-6-[(5-methoxy-2-oxospiro[in...) Show SMILES COc1ccc2N(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)C(=O)C3(CCNCC3)c2c1 Show InChI InChI=1S/C26H30N6O2/c1-25(2,3)16-32-18(11-17-14-29-22(13-27)30-23(17)32)15-31-21-6-5-19(34-4)12-20(21)26(24(31)33)7-9-28-10-8-26/h5-6,11-12,14,28H,7-10,15-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				J Med Chem 51: 5459-62 (2008) Article DOI: 10.1021/jm800626a BindingDB Entry DOI: 10.7270/Q2SF2W0R
					More data for this Ligand-Target Pair