BDBM91570 2-[3-(4-methoxyphenyl)-5-phenyl-2-pyrazolin-1-yl]-4-methyl-thiazole::2-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole::2-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-methylthiazole::VU0467037-1::cid_16424118

SMILES: COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1nc(C)cs1

InChI Key: InChIKey=LWXQFBXIVMABHI-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 = 91570   

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...)	BDBM91570 (2-[3-(4-methoxyphenyl)-5-phenyl-2-pyrazolin-1-yl]-...) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1nc(C)cs1 |t:9| Show InChI InChI=1S/C20H19N3OS/c1-14-13-25-20(21-14)23-19(16-6-4-3-5-7-16)12-18(22-23)15-8-10-17(24-2)11-9-15/h3-11,13,19H,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt 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)	BDBM91570 (2-[3-(4-methoxyphenyl)-5-phenyl-2-pyrazolin-1-yl]-...) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1nc(C)cs1 |t:9| Show InChI InChI=1S/C20H19N3OS/c1-14-13-25-20(21-14)23-19(16-6-4-3-5-7-16)12-18(22-23)15-8-10-17(24-2)11-9-15/h3-11,13,19H,12H2,1-2H3	PDB UniProtKB/SwissProt 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)	BDBM91570 (2-[3-(4-methoxyphenyl)-5-phenyl-2-pyrazolin-1-yl]-...) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1nc(C)cs1 |t:9| Show InChI InChI=1S/C20H19N3OS/c1-14-13-25-20(21-14)23-19(16-6-4-3-5-7-16)12-18(22-23)15-8-10-17(24-2)11-9-15/h3-11,13,19H,12H2,1-2H3	PDB MMDB NCI pathway 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	>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