Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 45 entry = 50047829   

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
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50192668 (CHEMBL1684950) Show SMILES CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 |r| Show InChI InChI=1S/C20H23F3N2O2/c1-13(2)16-6-4-15(5-7-16)10-19(26)25-14(3)18-9-8-17(11-24-18)27-12-20(21,22)23/h4-9,11,13-14H,10,12H2,1-3H3,(H,25,26)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human T-type calcium channel Cav3.1 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...				J Med Chem 59: 8398-411 (2016) Article DOI: 10.1021/acs.jmedchem.6b00756 BindingDB Entry DOI: 10.7270/Q2J67JWK
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50192689 (CHEMBL3934636) Show SMILES CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(F)cc(Cl)c2)CC1 Show InChI InChI=1S/C19H27ClFN3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human T-type calcium channel Cav3.1 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...				J Med Chem 59: 8398-411 (2016) Article DOI: 10.1021/acs.jmedchem.6b00756 BindingDB Entry DOI: 10.7270/Q2J67JWK
					More data for this Ligand-Target Pair				3D Structure (crystal)