Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 391.4 BDBM54653

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

Found 10 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
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54653 (4-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-...) Show SMILES Cc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10| Show InChI InChI=1S/C22H21N3O2S/c1-16-7-5-6-10-20(16)22-15-21(17-8-3-2-4-9-17)24-25(22)18-11-13-19(14-12-18)28(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2B856J1
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54653 (4-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-...) Show SMILES Cc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10| Show InChI InChI=1S/C22H21N3O2S/c1-16-7-5-6-10-20(16)22-15-21(17-8-3-2-4-9-17)24-25(22)18-11-13-19(14-12-18)28(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54653 (4-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-...) Show SMILES Cc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10| Show InChI InChI=1S/C22H21N3O2S/c1-16-7-5-6-10-20(16)22-15-21(17-8-3-2-4-9-17)24-25(22)18-11-13-19(14-12-18)28(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2B56H55
					More data for this Ligand-Target Pair
GTPase KRas [1-37] (Homo sapiens (Human))	BDBM54653 (4-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-...) Show SMILES Cc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10| Show InChI InChI=1S/C22H21N3O2S/c1-16-7-5-6-10-20(16)22-15-21(17-8-3-2-4-9-17)24-25(22)18-11-13-19(14-12-18)28(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q22N50Q3
					More data for this Ligand-Target Pair
Ras-related protein Rab-7a (Canis lupus familiaris)	BDBM54653 (4-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-...) Show SMILES Cc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10| Show InChI InChI=1S/C22H21N3O2S/c1-16-7-5-6-10-20(16)22-15-21(17-8-3-2-4-9-17)24-25(22)18-11-13-19(14-12-18)28(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2MK6B9H
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54653 (4-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-...) Show SMILES Cc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10| Show InChI InChI=1S/C22H21N3O2S/c1-16-7-5-6-10-20(16)22-15-21(17-8-3-2-4-9-17)24-25(22)18-11-13-19(14-12-18)28(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2QJ7FRJ
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54653 (4-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-...) Show SMILES Cc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10| Show InChI InChI=1S/C22H21N3O2S/c1-16-7-5-6-10-20(16)22-15-21(17-8-3-2-4-9-17)24-25(22)18-11-13-19(14-12-18)28(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2G15Z8C
					More data for this Ligand-Target Pair
GTPase KRas [1-37] (Homo sapiens (Human))	BDBM54653 (4-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-...) Show SMILES Cc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10| Show InChI InChI=1S/C22H21N3O2S/c1-16-7-5-6-10-20(16)22-15-21(17-8-3-2-4-9-17)24-25(22)18-11-13-19(14-12-18)28(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KK9971
					More data for this Ligand-Target Pair
Ras-related protein Rab-2A (Canis lupus familiaris)	BDBM54653 (4-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-...) Show SMILES Cc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10| Show InChI InChI=1S/C22H21N3O2S/c1-16-7-5-6-10-20(16)22-15-21(17-8-3-2-4-9-17)24-25(22)18-11-13-19(14-12-18)28(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JC6
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54653 (4-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-...) Show SMILES Cc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10| Show InChI InChI=1S/C22H21N3O2S/c1-16-7-5-6-10-20(16)22-15-21(17-8-3-2-4-9-17)24-25(22)18-11-13-19(14-12-18)28(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2959G0B
					More data for this Ligand-Target Pair