Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50313477   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin K (Homo sapiens (Human))	BDBM50313477 (4-(3-(pentan-3-ylamino)propyl)-6-(3-(trifluorometh...) Show SMILES CCC(CC)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H23F3N4/c1-3-16(4-2)25-10-6-9-17-12-18(27-19(13-24)26-17)14-7-5-8-15(11-14)20(21,22)23/h5,7-8,11-12,16,25H,3-4,6,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K by fluorescence assay				Bioorg Med Chem Lett 20: 1524-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.100 BindingDB Entry DOI: 10.7270/Q24X57ZH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin K (Homo sapiens (Human))	BDBM50313477 (4-(3-(pentan-3-ylamino)propyl)-6-(3-(trifluorometh...) Show SMILES CCC(CC)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H23F3N4/c1-3-16(4-2)25-10-6-9-17-12-18(27-19(13-24)26-17)14-7-5-8-15(11-14)20(21,22)23/h5,7-8,11-12,16,25H,3-4,6,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K using Z-Phe-Arg-MCA substrate by fluorimetric assay				Bioorg Med Chem Lett 20: 6237-41 (2010) Article DOI: 10.1016/j.bmcl.2010.08.101 BindingDB Entry DOI: 10.7270/Q2RR1ZFT
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin S (Homo sapiens (Human))	BDBM50313477 (4-(3-(pentan-3-ylamino)propyl)-6-(3-(trifluorometh...) Show SMILES CCC(CC)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H23F3N4/c1-3-16(4-2)25-10-6-9-17-12-18(27-19(13-24)26-17)14-7-5-8-15(11-14)20(21,22)23/h5,7-8,11-12,16,25H,3-4,6,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 20: 1524-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.100 BindingDB Entry DOI: 10.7270/Q24X57ZH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50313477 (4-(3-(pentan-3-ylamino)propyl)-6-(3-(trifluorometh...) Show SMILES CCC(CC)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H23F3N4/c1-3-16(4-2)25-10-6-9-17-12-18(27-19(13-24)26-17)14-7-5-8-15(11-14)20(21,22)23/h5,7-8,11-12,16,25H,3-4,6,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1524-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.100 BindingDB Entry DOI: 10.7270/Q24X57ZH
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50313477 (4-(3-(pentan-3-ylamino)propyl)-6-(3-(trifluorometh...) Show SMILES CCC(CC)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H23F3N4/c1-3-16(4-2)25-10-6-9-17-12-18(27-19(13-24)26-17)14-7-5-8-15(11-14)20(21,22)23/h5,7-8,11-12,16,25H,3-4,6,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin B by fluorescence assay				Bioorg Med Chem Lett 20: 1524-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.100 BindingDB Entry DOI: 10.7270/Q24X57ZH
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50313477 (4-(3-(pentan-3-ylamino)propyl)-6-(3-(trifluorometh...) Show SMILES CCC(CC)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H23F3N4/c1-3-16(4-2)25-10-6-9-17-12-18(27-19(13-24)26-17)14-7-5-8-15(11-14)20(21,22)23/h5,7-8,11-12,16,25H,3-4,6,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L by fluorescence assay				Bioorg Med Chem Lett 20: 1524-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.100 BindingDB Entry DOI: 10.7270/Q24X57ZH
					More data for this Ligand-Target Pair