BDBM54642 4-[3-(3-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazolin-1-yl]benzenesulfonamide::4-[5-(3-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide::KUC103417N::UNM-0000306134::cid_42628053

SMILES: COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1

InChI Key: InChIKey=NJQOTQOHFDBQLJ-UHFFFAOYSA-N

Data: 3 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 11 hits for monomerid = 54642   

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
GTP-binding protein (rab7) (Canis lupus familiaris)	BDBM54642 (4-[3-(3-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11| Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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/Q2GT5KM7
					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54642 (4-[3-(3-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11| Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	270	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
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54642 (4-[3-(3-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11| Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	320	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
ras protein (Homo sapiens (Human))	BDBM54642 (4-[3-(3-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11| Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	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 C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54642 (4-[3-(3-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11| Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	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))	BDBM54642 (4-[3-(3-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11| Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	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	2.08E+3	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
GTP-binding protein (rab7) (Canis lupus familiaris)	BDBM54642 (4-[3-(3-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11| Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	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	141	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)	BDBM54642 (4-[3-(3-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11| Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	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/Q2B56H55
					More data for this Ligand-Target Pair
ras protein (Homo sapiens (Human))	BDBM54642 (4-[3-(3-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11| Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	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)	BDBM54642 (4-[3-(3-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11| Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	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
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54642 (4-[3-(3-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11| Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	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	1.30E+3	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