BDBM41359 MLS000118127::N-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]-1,5-dimethyl-4-oxo-2-pyrrolo[3,2-c]quinolinecarboxamide::N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxidanylidene-pyrrolo[3,2-c]quinoline-2-carboxamide::N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide::N-[3-[4-(2-fluorophenyl)piperazino]propyl]-4-keto-1,5-dimethyl-pyrrolo[3,2-c]quinoline-2-carboxamide::SMR000095075::cid_5307606

SMILES: Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCCN1CCN(CC1)c1ccccc1F

InChI Key: InChIKey=IOBXCYXUOUMTHT-UHFFFAOYSA-N

Data: 1 IC50  3 EC50

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 4 hits for monomerid = 41359   

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))	BDBM41359 (MLS000118127 | N-[3-[4-(2-fluorophenyl)-1-piperazi...) Show SMILES Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCCN1CCN(CC1)c1ccccc1F Show InChI InChI=1S/C27H30FN5O2/c1-30-24(18-20-25(30)19-8-3-5-10-22(19)31(2)27(20)35)26(34)29-12-7-13-32-14-16-33(17-15-32)23-11-6-4-9-21(23)28/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.97E+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
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM41359 (MLS000118127 | N-[3-[4-(2-fluorophenyl)-1-piperazi...) Show SMILES Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCCN1CCN(CC1)c1ccccc1F Show InChI InChI=1S/C27H30FN5O2/c1-30-24(18-20-25(30)19-8-3-5-10-22(19)31(2)27(20)35)26(34)29-12-7-13-32-14-16-33(17-15-32)23-11-6-4-9-21(23)28/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.93E+3	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2M32T6M
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM41359 (MLS000118127 | N-[3-[4-(2-fluorophenyl)-1-piperazi...) Show SMILES Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCCN1CCN(CC1)c1ccccc1F Show InChI InChI=1S/C27H30FN5O2/c1-30-24(18-20-25(30)19-8-3-5-10-22(19)31(2)27(20)35)26(34)29-12-7-13-32-14-16-33(17-15-32)23-11-6-4-9-21(23)28/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TX3CSC
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM41359 (MLS000118127 | N-[3-[4-(2-fluorophenyl)-1-piperazi...) Show SMILES Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCCN1CCN(CC1)c1ccccc1F Show InChI InChI=1S/C27H30FN5O2/c1-30-24(18-20-25(30)19-8-3-5-10-22(19)31(2)27(20)35)26(34)29-12-7-13-32-14-16-33(17-15-32)23-11-6-4-9-21(23)28/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.12E+3	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2Q52N1X
					More data for this Ligand-Target Pair