Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome b-245 heavy chain' and Ligand = 'BDBM318936'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome b-245 heavy chain (Homo sapiens (Human))	BDBM318936 (US10173988, Compound A) Show SMILES COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1 Show InChI InChI=1S/C23H29N7O/c1-16-7-8-18(13-17(16)2)25-23-27-21(26-22(24)28-23)15-29-9-11-30(12-10-29)19-5-4-6-20(14-19)31-3/h4-8,13-14H,9-12,15H2,1-3H3,(H3,24,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
Cytochrome b-245 heavy chain (Homo sapiens (Human))	BDBM318936 (US10173988, Compound A) Show SMILES COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1 Show InChI InChI=1S/C23H29N7O/c1-16-7-8-18(13-17(16)2)25-23-27-21(26-22(24)28-23)15-29-9-11-30(12-10-29)19-5-4-6-20(14-19)31-3/h4-8,13-14H,9-12,15H2,1-3H3,(H3,24,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
GLUCOX BIOTECH AB US Patent					Assay Description Cells: Human blood was purchased in buffy coat, prepared the same day for isolation of neutrophils, from Labjoy AB, Lund, Sweden. Blood components we...				US Patent US10173988 (2019) BindingDB Entry DOI: 10.7270/Q2WH2S3G
					More data for this Ligand-Target Pair