BDBM25137 2-cyano-pyrropyrimidine, 7c::7-(2-cyclohexylethyl)-6-[4-(4-acetyl-1,4-diazepan-1-yl)phenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

SMILES: CC(=O)N1CCCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1

InChI Key: InChIKey=MKXSYFWGSGRTSW-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 = 25137   

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))	BDBM25137 (2-cyano-pyrropyrimidine, 7c | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C29H36N6O2/c1-22(36)33-13-5-14-34(17-16-33)25-8-10-27(11-9-25)37-21-26-18-24-20-31-28(19-30)32-29(24)35(26)15-12-23-6-3-2-4-7-23/h8-11,18,20,23H,2-7,12-17,21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM25137 (2-cyano-pyrropyrimidine, 7c | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C29H36N6O2/c1-22(36)33-13-5-14-34(17-16-33)25-8-10-27(11-9-25)37-21-26-18-24-20-31-28(19-30)32-29(24)35(26)15-12-23-6-3-2-4-7-23/h8-11,18,20,23H,2-7,12-17,21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM25137 (2-cyano-pyrropyrimidine, 7c | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C29H36N6O2/c1-22(36)33-13-5-14-34(17-16-33)25-8-10-27(11-9-25)37-21-26-18-24-20-31-28(19-30)32-29(24)35(26)15-12-23-6-3-2-4-7-23/h8-11,18,20,23H,2-7,12-17,21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair