BDBM80752 MLS002701599::SMR001565200::cid_377172

SMILES: [H]C12CCC([H])(C=C1)c1c2c(=O)c2[nH]c(C)c(C)[nH]c2c1=O

InChI Key: InChIKey=QGLROAKDEITONM-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 80752   

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
Hexokinase HKDC1 [W721R] (Homo sapiens (Human))	BDBM80752 (MLS002701599 | SMR001565200 | cid_377172) Show SMILES [H]C12CCC([H])(C=C1)c1c2c(=O)c2[nH]c(C)c(C)[nH]c2c1=O |c:6,TLB:10:9:3.2:7.6,THB:20:8:3.2:7.6| Show InChI InChI=1S/C16H14N2O2/c1-7-8(2)18-14-13(17-7)15(19)11-9-3-5-10(6-4-9)12(11)16(14)20/h3,5,9-10H,4,6H2,1-2H3	GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
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/Q23F4N3R
					More data for this Ligand-Target Pair
Hexokinase HKDC1 [W721R] (Homo sapiens (Human))	BDBM80752 (MLS002701599 | SMR001565200 | cid_377172) Show SMILES [H]C12CCC([H])(C=C1)c1c2c(=O)c2[nH]c(C)c(C)[nH]c2c1=O |c:6,TLB:10:9:3.2:7.6,THB:20:8:3.2:7.6| Show InChI InChI=1S/C16H14N2O2/c1-7-8(2)18-14-13(17-7)15(19)11-9-3-5-10(6-4-9)12(11)16(14)20/h3,5,9-10H,4,6H2,1-2H3	GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
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/Q2W094D4
					More data for this Ligand-Target Pair