BDBM41145 MLS000082576::SMR000046044::cid_665065

SMILES: CSc1nc(N2CCN(CCO)CC2)c2sc3nc(c4CCCc4c3c2n1)-c1ccco1

InChI Key: InChIKey=NZJBMSHLTOVMEM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 41145   

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))	BDBM41145 (MLS000082576 | SMR000046044 | cid_665065) Show SMILES CSc1nc(N2CCN(CCO)CC2)c2sc3nc(c4CCCc4c3c2n1)-c1ccco1 Show InChI InChI=1S/C23H25N5O2S2/c1-31-23-25-19-17-14-4-2-5-15(14)18(16-6-3-13-30-16)24-22(17)32-20(19)21(26-23)28-9-7-27(8-10-28)11-12-29/h3,6,13,29H,2,4-5,7-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2WH2NDV
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM41145 (MLS000082576 | SMR000046044 | cid_665065) Show SMILES CSc1nc(N2CCN(CCO)CC2)c2sc3nc(c4CCCc4c3c2n1)-c1ccco1 Show InChI InChI=1S/C23H25N5O2S2/c1-31-23-25-19-17-14-4-2-5-15(14)18(16-6-3-13-30-16)24-22(17)32-20(19)21(26-23)28-9-7-27(8-10-28)11-12-29/h3,6,13,29H,2,4-5,7-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27D2SJC
					More data for this Ligand-Target Pair