Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 319.7 BDBM32876Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

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
Kallikrein-5 (Homo sapiens (Human))	BDBM32876 ((2-chlorophenyl)-[3-(2-furanyl)-5-(methylthio)-1,2...) Show SMILES CSc1nc(nn1C(=O)c1ccccc1Cl)-c1ccco1 Show InChI InChI=1S/C14H10ClN3O2S/c1-21-14-16-12(11-7-4-8-20-11)17-18(14)13(19)9-5-2-3-6-10(9)15/h2-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GH9GC8
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM32876 ((2-chlorophenyl)-[3-(2-furanyl)-5-(methylthio)-1,2...) Show SMILES CSc1nc(nn1C(=O)c1ccccc1Cl)-c1ccco1 Show InChI InChI=1S/C14H10ClN3O2S/c1-21-14-16-12(11-7-4-8-20-11)17-18(14)13(19)9-5-2-3-6-10(9)15/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.37E+3	n/a	n/a	n/a	n/a	7.4	23
PCMD Curated by PubChem BioAssay					Assay Description Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2H993J6
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM32876 ((2-chlorophenyl)-[3-(2-furanyl)-5-(methylthio)-1,2...) Show SMILES CSc1nc(nn1C(=O)c1ccccc1Cl)-c1ccco1 Show InChI InChI=1S/C14H10ClN3O2S/c1-21-14-16-12(11-7-4-8-20-11)17-18(14)13(19)9-5-2-3-6-10(9)15/h2-8H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.54E+4	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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q28P5XX5
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM32876 ((2-chlorophenyl)-[3-(2-furanyl)-5-(methylthio)-1,2...) Show SMILES CSc1nc(nn1C(=O)c1ccccc1Cl)-c1ccco1 Show InChI InChI=1S/C14H10ClN3O2S/c1-21-14-16-12(11-7-4-8-20-11)17-18(14)13(19)9-5-2-3-6-10(9)15/h2-8H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.54E+4	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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29P302B
					More data for this Ligand-Target Pair