Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 1 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-1H (Homo sapiens (Human))	BDBM50192659 (CHEMBL3894794) Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccc(Br)cc2)cc1 |c:9| Show InChI InChI=1S/C22H16BrF2N3O/c23-16-5-1-14(2-6-16)20-13-21(15-3-7-17(24)8-4-15)28(27-20)22(29)26-19-11-9-18(25)10-12-19/h1-12,21H,13H2,(H,26,29)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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 Cav3.2 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-1H (Homo sapiens (Human))	BDBM50192655 (CHEMBL3946972) Show SMILES OCCC1(CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccccc1 |c:5| Show InChI InChI=1S/C24H22FN3O2/c25-20-11-13-21(14-12-20)26-23(30)28-24(15-16-29,19-9-5-2-6-10-19)17-22(27-28)18-7-3-1-4-8-18/h1-14,29H,15-17H2,(H,26,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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 Cav3.2 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-1H (Homo sapiens (Human))	BDBM50192660 (CHEMBL3923714) Show SMILES CC(C)NC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccc(Br)cc1 |c:7| Show InChI InChI=1S/C19H19BrFN3O/c1-12(2)22-19(25)24-18(14-5-9-16(21)10-6-14)11-17(23-24)13-3-7-15(20)8-4-13/h3-10,12,18H,11H2,1-2H3,(H,22,25)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	382	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 Cav3.2 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-1H (Homo sapiens (Human))	BDBM50192654 (CHEMBL3911637) Show SMILES CC1=NN(C(C1)c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 |t:1| Show InChI InChI=1S/C17H15F2N3O/c1-11-10-16(12-2-4-13(18)5-3-12)22(21-11)17(23)20-15-8-6-14(19)7-9-15/h2-9,16H,10H2,1H3,(H,20,23)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	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 Cav3.2 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-1H (Homo sapiens (Human))	BDBM50192656 (CHEMBL3983284) Show SMILES COc1ccc(cc1)[C@@]1(CCO)CC(=NN1C(=O)Nc1ccc(Br)cc1)c1cccnc1 |r,c:14| Show InChI InChI=1S/C24H23BrN4O3/c1-32-21-10-4-18(5-11-21)24(12-14-30)15-22(17-3-2-13-26-16-17)28-29(24)23(31)27-20-8-6-19(25)7-9-20/h2-11,13,16,30H,12,14-15H2,1H3,(H,27,31)/t24-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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 Cav3.2 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