BDBM54661 4-[3-(4-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide::4-[5-(4-methoxyphenyl)-3-methyl-2-pyrazolin-1-yl]benzenesulfonamide::KUC103440N::UNM-0000306159::cid_14870296

SMILES: COc1ccc(cc1)C1CC(C)=NN1c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=BQYIJYRLZDWYAH-UHFFFAOYSA-N

Data: 1 KI  8 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 9 hits for monomerid = 54661   

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
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54661 (4-[3-(4-methoxyphenyl)-5-methyl-3,4-dihydropyrazol...) Show SMILES COc1ccc(cc1)C1CC(C)=NN1c1ccc(cc1)S(N)(=O)=O |c:12| Show InChI InChI=1S/C17H19N3O3S/c1-12-11-17(13-3-7-15(23-2)8-4-13)20(19-12)14-5-9-16(10-6-14)24(18,21)22/h3-10,17H,11H2,1-2H3,(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	10	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/Q26D5RFF
					More data for this Ligand-Target Pair
ras protein (Homo sapiens (Human))	BDBM54661 (4-[3-(4-methoxyphenyl)-5-methyl-3,4-dihydropyrazol...) Show SMILES COc1ccc(cc1)C1CC(C)=NN1c1ccc(cc1)S(N)(=O)=O |c:12| Show InChI InChI=1S/C17H19N3O3S/c1-12-11-17(13-3-7-15(23-2)8-4-13)20(19-12)14-5-9-16(10-6-14)24(18,21)22/h3-10,17H,11H2,1-2H3,(H2,18,21,22)	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 C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54661 (4-[3-(4-methoxyphenyl)-5-methyl-3,4-dihydropyrazol...) Show SMILES COc1ccc(cc1)C1CC(C)=NN1c1ccc(cc1)S(N)(=O)=O |c:12| Show InChI InChI=1S/C17H19N3O3S/c1-12-11-17(13-3-7-15(23-2)8-4-13)20(19-12)14-5-9-16(10-6-14)24(18,21)22/h3-10,17H,11H2,1-2H3,(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	63	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
GTP-binding protein (rab7) (Canis lupus familiaris)	BDBM54661 (4-[3-(4-methoxyphenyl)-5-methyl-3,4-dihydropyrazol...) Show SMILES COc1ccc(cc1)C1CC(C)=NN1c1ccc(cc1)S(N)(=O)=O |c:12| Show InChI InChI=1S/C17H19N3O3S/c1-12-11-17(13-3-7-15(23-2)8-4-13)20(19-12)14-5-9-16(10-6-14)24(18,21)22/h3-10,17H,11H2,1-2H3,(H2,18,21,22)	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
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54661 (4-[3-(4-methoxyphenyl)-5-methyl-3,4-dihydropyrazol...) Show SMILES COc1ccc(cc1)C1CC(C)=NN1c1ccc(cc1)S(N)(=O)=O |c:12| Show InChI InChI=1S/C17H19N3O3S/c1-12-11-17(13-3-7-15(23-2)8-4-13)20(19-12)14-5-9-16(10-6-14)24(18,21)22/h3-10,17H,11H2,1-2H3,(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54661 (4-[3-(4-methoxyphenyl)-5-methyl-3,4-dihydropyrazol...) Show SMILES COc1ccc(cc1)C1CC(C)=NN1c1ccc(cc1)S(N)(=O)=O |c:12| Show InChI InChI=1S/C17H19N3O3S/c1-12-11-17(13-3-7-15(23-2)8-4-13)20(19-12)14-5-9-16(10-6-14)24(18,21)22/h3-10,17H,11H2,1-2H3,(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia 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/Q2QJ7FRJ
					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54661 (4-[3-(4-methoxyphenyl)-5-methyl-3,4-dihydropyrazol...) Show SMILES COc1ccc(cc1)C1CC(C)=NN1c1ccc(cc1)S(N)(=O)=O |c:12| Show InChI InChI=1S/C17H19N3O3S/c1-12-11-17(13-3-7-15(23-2)8-4-13)20(19-12)14-5-9-16(10-6-14)24(18,21)22/h3-10,17H,11H2,1-2H3,(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia 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/Q2G15Z8C
					More data for this Ligand-Target Pair
Ras-related protein Rab-2A. (Canis lupus familiaris)	BDBM54661 (4-[3-(4-methoxyphenyl)-5-methyl-3,4-dihydropyrazol...) Show SMILES COc1ccc(cc1)C1CC(C)=NN1c1ccc(cc1)S(N)(=O)=O |c:12| Show InChI InChI=1S/C17H19N3O3S/c1-12-11-17(13-3-7-15(23-2)8-4-13)20(19-12)14-5-9-16(10-6-14)24(18,21)22/h3-10,17H,11H2,1-2H3,(H2,18,21,22)	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 protein (Homo sapiens (Human))	BDBM54661 (4-[3-(4-methoxyphenyl)-5-methyl-3,4-dihydropyrazol...) Show SMILES COc1ccc(cc1)C1CC(C)=NN1c1ccc(cc1)S(N)(=O)=O |c:12| Show InChI InChI=1S/C17H19N3O3S/c1-12-11-17(13-3-7-15(23-2)8-4-13)20(19-12)14-5-9-16(10-6-14)24(18,21)22/h3-10,17H,11H2,1-2H3,(H2,18,21,22)	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