BDBM41669 4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]-N-[3-(dimethylamino)propyl]benzenesulfonamide::4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-N-[3-(dimethylamino)propyl]benzenesulfonamide::4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N-[3-(dimethylamino)propyl]benzenesulfonamide::MLS000530254::SMR000135230::cid_2837694
SMILES: CN(C)CCCNS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1
InChI Key: InChIKey=FXYFDLSNCLJHMY-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM41669 (4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]-N-[3-(dime...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 338 | 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/Q26D5RD0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM41669 (4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]-N-[3-(dime...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.04E+3 | 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/Q2902257 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
dTDP-4-dehydrorhamnose 3,5-epimerase (Mycobacterium tuberculosis H37Rv) | BDBM41669 (4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]-N-[3-(dime...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 591 | 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: Michael McNeil, Colorado State Universi... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TD9VRT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-14 [1-36] (Homo sapiens (Human)) | BDBM41669 (4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]-N-[3-(dime...) | GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a |
Sanford-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, San Diego, C... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2154FGT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM41669 (4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]-N-[3-(dime...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >614 | 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 (2010) BindingDB Entry DOI: 10.7270/Q2VM49PS | |||||||||||
More data for this Ligand-Target Pair |