BDBM62839 5,5-dimethyl-2,6-dihydro-[1,2,4]triazol[3,4-a]isoquinoline-3-thione::5,5-dimethyl-2,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline-3-thione::MLS000107006::SMR000111380::US10864248, Compound 3::cid_870599

SMILES: CC1(C)Cc2ccccc2-c2n[nH]c(=S)n12

InChI Key: InChIKey=ZMLCRHOHOXICIB-UHFFFAOYSA-N

Data: 1 KI  2 IC50  1 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 4 hits for monomerid = 62839   

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
Disabled homolog 2 (Human)	BDBM62839 (5,5-dimethyl-2,6-dihydro-[1,2,4]triazol[3,4-a]isoq...) Show SMILES CC1(C)Cc2ccccc2-c2n[nH]c(=S)n12 Show InChI InChI=1S/C12H13N3S/c1-12(2)7-8-5-3-4-6-9(8)10-13-14-11(16)15(10)12/h3-6H,7H2,1-2H3,(H,14,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	779	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TRUSTEES OF DARTMOUTH COLLEGE US Patent					Assay Description Fluorescence polarization (FP) data were measured on a microplate reader (Tecan Infinite M1000, Mannedorf, Switzerland) at 27° C. For Kd measurements...				US Patent US10864248 (2020)
					More data for this Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human))	BDBM62839 (5,5-dimethyl-2,6-dihydro-[1,2,4]triazol[3,4-a]isoq...) Show SMILES CC1(C)Cc2ccccc2-c2n[nH]c(=S)n12 Show InChI InChI=1S/C12H13N3S/c1-12(2)7-8-5-3-4-6-9(8)10-13-14-11(16)15(10)12/h3-6H,7H2,1-2H3,(H,14,16)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	25
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2CZ35ND
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Mus musculus)	BDBM62839 (5,5-dimethyl-2,6-dihydro-[1,2,4]triazol[3,4-a]isoq...) Show SMILES CC1(C)Cc2ccccc2-c2n[nH]c(=S)n12 Show InChI InChI=1S/C12H13N3S/c1-12(2)7-8-5-3-4-6-9(8)10-13-14-11(16)15(10)12/h3-6H,7H2,1-2H3,(H,14,16)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.95E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
					More data for this Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM62839 (5,5-dimethyl-2,6-dihydro-[1,2,4]triazol[3,4-a]isoq...) Show SMILES CC1(C)Cc2ccccc2-c2n[nH]c(=S)n12 Show InChI InChI=1S/C12H13N3S/c1-12(2)7-8-5-3-4-6-9(8)10-13-14-11(16)15(10)12/h3-6H,7H2,1-2H3,(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.33E+3	n/a	n/a	n/a	n/a	n/a	25
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2HQ3XD6
					More data for this Ligand-Target Pair