Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50005826   

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))	BDBM50222222 (CHEMBL394956 | KYS-05090 | N-benzyl-2-(3-(biphenyl...) Show SMILES CN(C)CCCCCN(C)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccc(cc1)-c1ccccc1 |t:10| Show InChI InChI=1S/C37H43N5O/c1-40(2)25-13-6-14-26-41(3)37-39-34-20-12-11-19-33(34)35(27-36(43)38-28-29-15-7-4-8-16-29)42(37)32-23-21-31(22-24-32)30-17-9-5-10-18-30/h4-5,7-12,15-24,35H,6,13-14,25-28H2,1-3H3,(H,38,43)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of t-type Cav3.1 channel (unknown origin) expressed in HEK293 cells assessed as inhibition of 50 ms depolarizing voltage step-induced curr...				Bioorg Med Chem Lett 23: 6656-62 (2013) Article DOI: 10.1016/j.bmcl.2013.10.049 BindingDB Entry DOI: 10.7270/Q28W3H80
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50232642 (CHEMBL3093781) Show SMILES COc1ccc(CNC(=O)CC2N(C(=Nc3ccccc23)N2CCN(CCN(C)C)CC2)c2ccc(cc2)-c2ccccc2)cc1 |c:13| Show InChI InChI=1S/C38H44N6O2/c1-41(2)21-22-42-23-25-43(26-24-42)38-40-35-12-8-7-11-34(35)36(27-37(45)39-28-29-13-19-33(46-3)20-14-29)44(38)32-17-15-31(16-18-32)30-9-5-4-6-10-30/h4-20,36H,21-28H2,1-3H3,(H,39,45)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of t-type Cav3.1 channel (unknown origin) expressed in HEK293 cells assessed as inhibition of 50 ms depolarizing voltage step-induced curr...				Bioorg Med Chem Lett 23: 6656-62 (2013) Article DOI: 10.1016/j.bmcl.2013.10.049 BindingDB Entry DOI: 10.7270/Q28W3H80
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50494713 (CHEMBL3093776) Show SMILES CN(C)CCCCN(C)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccc(cc1)-c1ccccc1 |t:9| Show InChI InChI=1S/C36H41N5O/c1-39(2)24-12-13-25-40(3)36-38-33-19-11-10-18-32(33)34(26-35(42)37-27-28-14-6-4-7-15-28)41(36)31-22-20-30(21-23-31)29-16-8-5-9-17-29/h4-11,14-23,34H,12-13,24-27H2,1-3H3,(H,37,42)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of t-type Cav3.1 channel (unknown origin) expressed in HEK293 cells assessed as inhibition of 50 ms depolarizing voltage step-induced curr...				Bioorg Med Chem Lett 23: 6656-62 (2013) Article DOI: 10.1016/j.bmcl.2013.10.049 BindingDB Entry DOI: 10.7270/Q28W3H80
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50232643 (CHEMBL3093780) Show SMILES CN(C)CCN1CCN(CC1)C1=Nc2ccccc2C(CC(=O)NCc2ccc(F)cc2)N1c1ccc(cc1)-c1ccccc1 |t:12| Show InChI InChI=1S/C37H41FN6O/c1-41(2)20-21-42-22-24-43(25-23-42)37-40-34-11-7-6-10-33(34)35(26-36(45)39-27-28-12-16-31(38)17-13-28)44(37)32-18-14-30(15-19-32)29-8-4-3-5-9-29/h3-19,35H,20-27H2,1-2H3,(H,39,45)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of t-type Cav3.1 channel (unknown origin) expressed in HEK293 cells assessed as inhibition of 50 ms depolarizing voltage step-induced curr...				Bioorg Med Chem Lett 23: 6656-62 (2013) Article DOI: 10.1016/j.bmcl.2013.10.049 BindingDB Entry DOI: 10.7270/Q28W3H80
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50494712 (CHEMBL3093774) Show SMILES COc1ccc(CNC(=O)CC2N(C(=Nc3ccccc23)N(C)CCCCCN(C)C)c2ccc(cc2)-c2ccccc2)cc1 |c:13| Show InChI InChI=1S/C38H45N5O2/c1-41(2)25-11-6-12-26-42(3)38-40-35-16-10-9-15-34(35)36(27-37(44)39-28-29-17-23-33(45-4)24-18-29)43(38)32-21-19-31(20-22-32)30-13-7-5-8-14-30/h5,7-10,13-24,36H,6,11-12,25-28H2,1-4H3,(H,39,44)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of t-type Cav3.1 channel (unknown origin) expressed in HEK293 cells assessed as inhibition of 50 ms depolarizing voltage step-induced curr...				Bioorg Med Chem Lett 23: 6656-62 (2013) Article DOI: 10.1016/j.bmcl.2013.10.049 BindingDB Entry DOI: 10.7270/Q28W3H80
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50494711 (CHEMBL3093779) Show SMILES CN(C)CCN1CCN(CC1)C1=Nc2ccccc2C(CC(=O)NCc2ccc(C)cc2)N1c1ccc(cc1)-c1ccccc1 |t:12| Show InChI InChI=1S/C38H44N6O/c1-29-13-15-30(16-14-29)28-39-37(45)27-36-34-11-7-8-12-35(34)40-38(43-25-23-42(24-26-43)22-21-41(2)3)44(36)33-19-17-32(18-20-33)31-9-5-4-6-10-31/h4-20,36H,21-28H2,1-3H3,(H,39,45)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of t-type Cav3.1 channel (unknown origin) expressed in HEK293 cells assessed as inhibition of 50 ms depolarizing voltage step-induced curr...				Bioorg Med Chem Lett 23: 6656-62 (2013) Article DOI: 10.1016/j.bmcl.2013.10.049 BindingDB Entry DOI: 10.7270/Q28W3H80
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50494710 (CHEMBL3093777) Show SMILES CN(C)CCCCCCN(C)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccc(cc1)-c1ccccc1 |t:11| Show InChI InChI=1S/C38H45N5O/c1-41(2)26-14-4-5-15-27-42(3)38-40-35-21-13-12-20-34(35)36(28-37(44)39-29-30-16-8-6-9-17-30)43(38)33-24-22-32(23-25-33)31-18-10-7-11-19-31/h6-13,16-25,36H,4-5,14-15,26-29H2,1-3H3,(H,39,44)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of t-type Cav3.1 channel (unknown origin) expressed in HEK293 cells assessed as inhibition of 50 ms depolarizing voltage step-induced curr...				Bioorg Med Chem Lett 23: 6656-62 (2013) Article DOI: 10.1016/j.bmcl.2013.10.049 BindingDB Entry DOI: 10.7270/Q28W3H80
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50117922 ((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...) Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r| Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of t-type Cav3.1 channel (unknown origin) expressed in HEK293 cells assessed as inhibition of 50 ms depolarizing voltage step-induced curr...				Bioorg Med Chem Lett 23: 6656-62 (2013) Article DOI: 10.1016/j.bmcl.2013.10.049 BindingDB Entry DOI: 10.7270/Q28W3H80
					More data for this Ligand-Target Pair