BDBM91561 2-(4-methylphenyl)-3,5-diphenyl-3,4-dihydropyrazole::3,5-diphenyl-1-(p-tolyl)-2-pyrazoline::VU0090826-2::cid_2841273

SMILES: Cc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1

InChI Key: InChIKey=DTHOIRQMEIZRRN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 91561   

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
botulinum neurotoxin type A (Clostridium botulinum (strain Hall / ATCC 3502 / N...)	BDBM91561 (2-(4-methylphenyl)-3,5-diphenyl-3,4-dihydropyrazol...) Show SMILES Cc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9| Show InChI InChI=1S/C22H20N2/c1-17-12-14-20(15-13-17)24-22(19-10-6-3-7-11-19)16-21(23-24)18-8-4-2-5-9-18/h2-15,22H,16H2,1H3	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q29Z93G0
					More data for this Ligand-Target Pair
botulinum neurotoxin type F, BoNT/F (Clostridium botulinum Bf)	BDBM91561 (2-(4-methylphenyl)-3,5-diphenyl-3,4-dihydropyrazol...) Show SMILES Cc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9| Show InChI InChI=1S/C22H20N2/c1-17-12-14-20(15-13-17)24-22(19-10-6-3-7-11-19)16-21(23-24)18-8-4-2-5-9-18/h2-15,22H,16H2,1H3	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q22F7M0T
					More data for this Ligand-Target Pair
Antrax lethal toxin (Bacillus anthracis)	BDBM91561 (2-(4-methylphenyl)-3,5-diphenyl-3,4-dihydropyrazol...) Show SMILES Cc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9| Show InChI InChI=1S/C22H20N2/c1-17-12-14-20(15-13-17)24-22(19-10-6-3-7-11-19)16-21(23-24)18-8-4-2-5-9-18/h2-15,22H,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2668BRK
					More data for this Ligand-Target Pair