Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 8932   

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
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM430025 (4-(4′-Ethanesulfonyl-6-fluoro-2′-metho...) Show SMILES CCn1ncc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC Show InChI InChI=1S/C22H21FN4O3S/c1-4-27-22-19(13-25-27)18(12-24-26-22)14-6-9-20(23)17(10-14)16-8-7-15(11-21(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER LIMITED US Patent					Assay Description The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...				US Patent US10538523 (2020) BindingDB Entry DOI: 10.7270/Q2RB771W
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM430027 (5-[5-(1-Ethyl-1H-pyrazolo[3,4-c]pyridazin-4-yl)-2-...) Show SMILES CCn1ncc2c(cnnc12)-c1ccc(F)c(c1)-c1cc2CN(C)C(=O)c2cc1OC Show InChI InChI=1S/C23H20FN5O2/c1-4-29-22-19(11-26-29)18(10-25-27-22)13-5-6-20(24)16(7-13)17-8-14-12-28(2)23(30)15(14)9-21(17)31-3/h5-11H,4,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER LIMITED US Patent					Assay Description The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...				US Patent US10538523 (2020) BindingDB Entry DOI: 10.7270/Q2RB771W
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM430026 (4-(4′-Ethanesulfonyl-6-fluorobiphenyl-3-yl)-...) Show SMILES CCn1ncc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1)S(=O)(=O)CC Show InChI InChI=1S/C21H19FN4O2S/c1-3-26-21-19(13-24-26)18(12-23-25-21)15-7-10-20(22)17(11-15)14-5-8-16(9-6-14)29(27,28)4-2/h5-13H,3-4H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER LIMITED US Patent					Assay Description The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...				US Patent US10538523 (2020) BindingDB Entry DOI: 10.7270/Q2RB771W
					More data for this Ligand-Target Pair