BDBM41287 1-(3-Amino-propyl)-5-methyl-1H-indole-2,3-dicarboxylic acid dimethyl ester::1-(3-aminopropyl)-5-methyl-indole-2,3-dicarboxylic acid dimethyl ester;hydrochloride::1-(3-aminopropyl)-5-methylindole-2,3-dicarboxylic acid dimethyl ester;hydrochloride::MLS000035145::SMR000011712::cid_6602610::dimethyl 1-(3-aminopropyl)-5-methylindole-2,3-dicarboxylate;hydrochloride::dimethyl 1-(3-azanylpropyl)-5-methyl-indole-2,3-dicarboxylate;hydrochloride

SMILES: COC(=O)c1c(C(=O)OC)c2cc(C)ccc2n1CCCN

InChI Key: InChIKey=JOLLLVCKFLZDBC-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 = 41287   

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))	BDBM41287 (1-(3-Amino-propyl)-5-methyl-1H-indole-2,3-dicarbox...) Show SMILES COC(=O)c1c(C(=O)OC)c2cc(C)ccc2n1CCCN Show InChI InChI=1S/C16H20N2O4/c1-10-5-6-12-11(9-10)13(15(19)21-2)14(16(20)22-3)18(12)8-4-7-17/h5-6,9H,4,7-8,17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.00E+4	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/Q2V69H02
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM41287 (1-(3-Amino-propyl)-5-methyl-1H-indole-2,3-dicarbox...) Show SMILES COC(=O)c1c(C(=O)OC)c2cc(C)ccc2n1CCCN Show InChI InChI=1S/C16H20N2O4/c1-10-5-6-12-11(9-10)13(15(19)21-2)14(16(20)22-3)18(12)8-4-7-17/h5-6,9H,4,7-8,17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.00E+4	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
Chain B, Rna Aptamer Complexed With Hiv-1 Rev Peptide, Nmr, 7 Structures (Human immunodeficiency virus 1)	BDBM41287 (1-(3-Amino-propyl)-5-methyl-1H-indole-2,3-dicarbox...) Show SMILES COC(=O)c1c(C(=O)OC)c2cc(C)ccc2n1CCCN Show InChI InChI=1S/C16H20N2O4/c1-10-5-6-12-11(9-10)13(15(19)21-2)14(16(20)22-3)18(12)8-4-7-17/h5-6,9H,4,7-8,17H2,1-3H3	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>7.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2DN43GX
					More data for this Ligand-Target Pair