BDBM40309 MLS000046765::N-(3-azepan-1-ylpropyl)-5-{[(2-fluorobenzyl)sulfonyl]methyl}-2-furamide::N-[3-(1-azepanyl)propyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]-2-furancarboxamide::N-[3-(azepan-1-yl)propyl]-5-[(2-fluorobenzyl)sulfonylmethyl]-2-furamide::N-[3-(azepan-1-yl)propyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide::SMR000032776::cid_3241115

SMILES: Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCCCCC1

InChI Key: InChIKey=ZDIMPGUUXPFYAK-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 40309   

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
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM40309 (MLS000046765 | N-(3-azepan-1-ylpropyl)-5-{[(2-fluo...) Show SMILES Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCCCCC1 Show InChI InChI=1S/C22H29FN2O4S/c23-20-9-4-3-8-18(20)16-30(27,28)17-19-10-11-21(29-19)22(26)24-12-7-15-25-13-5-1-2-6-14-25/h3-4,8-11H,1-2,5-7,12-17H2,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.77E+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 Assa...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2GX48ZN
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM40309 (MLS000046765 | N-(3-azepan-1-ylpropyl)-5-{[(2-fluo...) Show SMILES Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCCCCC1 Show InChI InChI=1S/C22H29FN2O4S/c23-20-9-4-3-8-18(20)16-30(27,28)17-19-10-11-21(29-19)22(26)24-12-7-15-25-13-5-1-2-6-14-25/h3-4,8-11H,1-2,5-7,12-17H2,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.37E+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
mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40309 (MLS000046765 | N-(3-azepan-1-ylpropyl)-5-{[(2-fluo...) Show SMILES Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCCCCC1 Show InChI InChI=1S/C22H29FN2O4S/c23-20-9-4-3-8-18(20)16-30(27,28)17-19-10-11-21(29-19)22(26)24-12-7-15-25-13-5-1-2-6-14-25/h3-4,8-11H,1-2,5-7,12-17H2,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1 (Homo sapiens (Human))	BDBM40309 (MLS000046765 | N-(3-azepan-1-ylpropyl)-5-{[(2-fluo...) Show SMILES Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCCCCC1 Show InChI InChI=1S/C22H29FN2O4S/c23-20-9-4-3-8-18(20)16-30(27,28)17-19-10-11-21(29-19)22(26)24-12-7-15-25-13-5-1-2-6-14-25/h3-4,8-11H,1-2,5-7,12-17H2,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2HM5725
					More data for this Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B) (Homo sapiens (Human))	BDBM40309 (MLS000046765 | N-(3-azepan-1-ylpropyl)-5-{[(2-fluo...) Show SMILES Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCCCCC1 Show InChI InChI=1S/C22H29FN2O4S/c23-20-9-4-3-8-18(20)16-30(27,28)17-19-10-11-21(29-19)22(26)24-12-7-15-25-13-5-1-2-6-14-25/h3-4,8-11H,1-2,5-7,12-17H2,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.31E+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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2H993M3
					More data for this Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11) (Homo sapiens (Human))	BDBM40309 (MLS000046765 | N-(3-azepan-1-ylpropyl)-5-{[(2-fluo...) Show SMILES Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCCCCC1 Show InChI InChI=1S/C22H29FN2O4S/c23-20-9-4-3-8-18(20)16-30(27,28)17-19-10-11-21(29-19)22(26)24-12-7-15-25-13-5-1-2-6-14-25/h3-4,8-11H,1-2,5-7,12-17H2,(H,24,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2PC30Z9
					More data for this Ligand-Target Pair
Thrombin (Bos taurus (Bovine))	BDBM40309 (MLS000046765 | N-(3-azepan-1-ylpropyl)-5-{[(2-fluo...) Show SMILES Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCCCCC1 Show InChI InChI=1S/C22H29FN2O4S/c23-20-9-4-3-8-18(20)16-30(27,28)17-19-10-11-21(29-19)22(26)24-12-7-15-25-13-5-1-2-6-14-25/h3-4,8-11H,1-2,5-7,12-17H2,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2JM286J
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM40309 (MLS000046765 | N-(3-azepan-1-ylpropyl)-5-{[(2-fluo...) Show SMILES Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCCCCC1 Show InChI InChI=1S/C22H29FN2O4S/c23-20-9-4-3-8-18(20)16-30(27,28)17-19-10-11-21(29-19)22(26)24-12-7-15-25-13-5-1-2-6-14-25/h3-4,8-11H,1-2,5-7,12-17H2,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.03E+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