BDBM54594 3-(4-bromophenyl)-1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazoline::5-(4-bromophenyl)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole::UNM-0000305832::cid_2830691

SMILES: COc1ccc(cc1)C1CC(=NN1c1ccccc1Cl)c1ccc(Br)cc1

InChI Key: InChIKey=VAOOQNZDMXCZQG-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 = 54594   

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)	BDBM54594 (3-(4-bromophenyl)-1-(2-chlorophenyl)-5-(4-methoxyp...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccccc1Cl)c1ccc(Br)cc1 |c:11| Show InChI InChI=1S/C22H18BrClN2O/c1-27-18-12-8-16(9-13-18)22-14-20(15-6-10-17(23)11-7-15)25-26(22)21-5-3-2-4-19(21)24/h2-13,22H,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	60	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))	BDBM54594 (3-(4-bromophenyl)-1-(2-chlorophenyl)-5-(4-methoxyp...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccccc1Cl)c1ccc(Br)cc1 |c:11| Show InChI InChI=1S/C22H18BrClN2O/c1-27-18-12-8-16(9-13-18)22-14-20(15-6-10-17(23)11-7-15)25-26(22)21-5-3-2-4-19(21)24/h2-13,22H,14H2,1H3	GoogleScholar AffyNet	Purchase 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)	BDBM54594 (3-(4-bromophenyl)-1-(2-chlorophenyl)-5-(4-methoxyp...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccccc1Cl)c1ccc(Br)cc1 |c:11| Show InChI InChI=1S/C22H18BrClN2O/c1-27-18-12-8-16(9-13-18)22-14-20(15-6-10-17(23)11-7-15)25-26(22)21-5-3-2-4-19(21)24/h2-13,22H,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	697	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)	BDBM54594 (3-(4-bromophenyl)-1-(2-chlorophenyl)-5-(4-methoxyp...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccccc1Cl)c1ccc(Br)cc1 |c:11| Show InChI InChI=1S/C22H18BrClN2O/c1-27-18-12-8-16(9-13-18)22-14-20(15-6-10-17(23)11-7-15)25-26(22)21-5-3-2-4-19(21)24/h2-13,22H,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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)	BDBM54594 (3-(4-bromophenyl)-1-(2-chlorophenyl)-5-(4-methoxyp...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccccc1Cl)c1ccc(Br)cc1 |c:11| Show InChI InChI=1S/C22H18BrClN2O/c1-27-18-12-8-16(9-13-18)22-14-20(15-6-10-17(23)11-7-15)25-26(22)21-5-3-2-4-19(21)24/h2-13,22H,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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))	BDBM54594 (3-(4-bromophenyl)-1-(2-chlorophenyl)-5-(4-methoxyp...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccccc1Cl)c1ccc(Br)cc1 |c:11| Show InChI InChI=1S/C22H18BrClN2O/c1-27-18-12-8-16(9-13-18)22-14-20(15-6-10-17(23)11-7-15)25-26(22)21-5-3-2-4-19(21)24/h2-13,22H,14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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))	BDBM54594 (3-(4-bromophenyl)-1-(2-chlorophenyl)-5-(4-methoxyp...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccccc1Cl)c1ccc(Br)cc1 |c:11| Show InChI InChI=1S/C22H18BrClN2O/c1-27-18-12-8-16(9-13-18)22-14-20(15-6-10-17(23)11-7-15)25-26(22)21-5-3-2-4-19(21)24/h2-13,22H,14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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)	BDBM54594 (3-(4-bromophenyl)-1-(2-chlorophenyl)-5-(4-methoxyp...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccccc1Cl)c1ccc(Br)cc1 |c:11| Show InChI InChI=1S/C22H18BrClN2O/c1-27-18-12-8-16(9-13-18)22-14-20(15-6-10-17(23)11-7-15)25-26(22)21-5-3-2-4-19(21)24/h2-13,22H,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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))	BDBM54594 (3-(4-bromophenyl)-1-(2-chlorophenyl)-5-(4-methoxyp...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccccc1Cl)c1ccc(Br)cc1 |c:11| Show InChI InChI=1S/C22H18BrClN2O/c1-27-18-12-8-16(9-13-18)22-14-20(15-6-10-17(23)11-7-15)25-26(22)21-5-3-2-4-19(21)24/h2-13,22H,14H2,1H3	GoogleScholar AffyNet	Purchase 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