Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'bowersox' and Initial = 'ss'   

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 N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50081687 (Azepane-1-carboxylic acid ((S)-1-{2-[(4-benzyloxy-...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]C([#6])([#6])[#6]-[#7](-[#6]\[#6]=[#6](/[#6])-[#6])-c1ccc(-[#8]-[#6]-c2ccccc2)cc1 Show InChI InChI=1S/C35H52N4O3/c1-27(2)20-23-39(30-16-18-31(19-17-30)42-25-29-14-10-9-11-15-29)26-35(5,6)37-33(40)32(24-28(3)4)36-34(41)38-21-12-7-8-13-22-38/h9-11,14-20,28,32H,7-8,12-13,21-26H2,1-6H3,(H,36,41)(H,37,40)/t32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells				J Med Chem 42: 4239-49 (1999) BindingDB Entry DOI: 10.7270/Q2QF8S22
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50076106 (Benzoic acid 4-((S)-2-{(S)-2-[(azepane-1-carbonyl)...) Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C Show InChI InChI=1S/C33H45N3O6/c1-23(2)21-27(35-32(40)36-19-11-6-7-12-20-36)29(37)34-28(31(39)42-33(3,4)5)22-24-15-17-26(18-16-24)41-30(38)25-13-9-8-10-14-25/h8-10,13-18,23,27-28H,6-7,11-12,19-22H2,1-5H3,(H,34,37)(H,35,40)/t27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells				J Med Chem 42: 4239-49 (1999) BindingDB Entry DOI: 10.7270/Q2QF8S22
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50080314 (Azepane-1-carboxylic acid ((S)-1-{4-[(4-benzyloxy-...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8]-[#6]-c2ccccc2)cc1 Show InChI InChI=1S/C36H52N4O3/c1-28(2)18-25-40(31-14-16-33(17-15-31)43-27-30-12-8-7-9-13-30)32-19-23-38(24-20-32)35(41)34(26-29(3)4)37-36(42)39-21-10-5-6-11-22-39/h7-9,12-18,29,32,34H,5-6,10-11,19-27H2,1-4H3,(H,37,42)/t34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells				J Med Chem 42: 4239-49 (1999) BindingDB Entry DOI: 10.7270/Q2QF8S22
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50081692 (Azepane-1-carboxylic acid ((S)-1-{4-[benzyl-(4-ben...) Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N1CCC(CC1)N(Cc1ccccc1)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C38H50N4O3/c1-30(2)27-36(39-38(44)41-23-11-3-4-12-24-41)37(43)40-25-21-34(22-26-40)42(28-31-13-7-5-8-14-31)33-17-19-35(20-18-33)45-29-32-15-9-6-10-16-32/h5-10,13-20,30,34,36H,3-4,11-12,21-29H2,1-2H3,(H,39,44)/t36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells				J Med Chem 42: 4239-49 (1999) BindingDB Entry DOI: 10.7270/Q2QF8S22
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50081689 ((S)-1-{4-[(4-Benzyloxy-phenyl)-(3-methyl-but-2-eny...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6]-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8]-[#6]-c2ccccc2)cc1 Show InChI InChI=1S/C34H51N3O2/c1-26(2)16-20-35-33(24-28(5)6)34(38)36-21-18-31(19-22-36)37(23-17-27(3)4)30-12-14-32(15-13-30)39-25-29-10-8-7-9-11-29/h7-15,17,26,28,31,33,35H,16,18-25H2,1-6H3/t33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells				J Med Chem 42: 4239-49 (1999) BindingDB Entry DOI: 10.7270/Q2QF8S22
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50081690 ((S)-1-{4-[(4-Benzyloxy-phenyl)-(3-methyl-but-2-eny...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8]-[#6]-c2ccccc2)cc1 Show InChI InChI=1S/C35H51N3O2/c1-27(2)19-24-38(31-15-17-33(18-16-31)40-26-29-11-7-5-8-12-29)32-20-22-37(23-21-32)35(39)34(25-28(3)4)36-30-13-9-6-10-14-30/h5,7-8,11-12,15-19,28,30,32,34,36H,6,9-10,13-14,20-26H2,1-4H3/t34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells				J Med Chem 42: 4239-49 (1999) BindingDB Entry DOI: 10.7270/Q2QF8S22
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50076111 (Benzoic acid 4-((S)-2-{(S)-2-[(azepane-1-carbonyl)...) Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C Show InChI InChI=1S/C33H46N4O5/c1-23(2)21-27(35-32(41)37-19-11-6-7-12-20-37)29(38)34-28(30(39)36-33(3,4)5)22-24-15-17-26(18-16-24)42-31(40)25-13-9-8-10-14-25/h8-10,13-18,23,27-28H,6-7,11-12,19-22H2,1-5H3,(H,34,38)(H,35,41)(H,36,39)/t27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells				J Med Chem 42: 4239-49 (1999) BindingDB Entry DOI: 10.7270/Q2QF8S22
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50081688 ((S)-2-Amino-1-{4-[(4-benzyloxy-phenyl)-(3-methyl-b...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7](-[#6]\[#6]=[#6](/[#6])-[#6])-c1ccc(-[#8]-[#6]-c2ccccc2)cc1 Show InChI InChI=1S/C29H41N3O2/c1-22(2)14-19-32(26-15-17-31(18-16-26)29(33)28(30)20-23(3)4)25-10-12-27(13-11-25)34-21-24-8-6-5-7-9-24/h5-14,23,26,28H,15-21,30H2,1-4H3/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells				J Med Chem 42: 4239-49 (1999) BindingDB Entry DOI: 10.7270/Q2QF8S22
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50081685 ((S)-1-{4-[(4-Benzyloxy-phenyl)-(3-methyl-but-2-eny...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8]-[#6]-c2ccccc2)cc1 Show InChI InChI=1S/C32H47N3O2/c1-24(2)16-21-35(28-12-14-30(15-13-28)37-23-27-10-8-7-9-11-27)29-17-19-34(20-18-29)32(36)31(22-25(3)4)33-26(5)6/h7-16,25-26,29,31,33H,17-23H2,1-6H3/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells				J Med Chem 42: 4239-49 (1999) BindingDB Entry DOI: 10.7270/Q2QF8S22
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50081682 (Azepane-1-carboxylic acid ((S)-1-{4-[(4-benzyloxy-...) Show SMILES CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C33H48N4O3/c1-4-37(28-14-16-30(17-15-28)40-25-27-12-8-7-9-13-27)29-18-22-35(23-19-29)32(38)31(24-26(2)3)34-33(39)36-20-10-5-6-11-21-36/h7-9,12-17,26,29,31H,4-6,10-11,18-25H2,1-3H3,(H,34,39)/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells				J Med Chem 42: 4239-49 (1999) BindingDB Entry DOI: 10.7270/Q2QF8S22
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50081684 (Azepane-1-carboxylic acid ((S)-1-{(S)-2-[(4-benzyl...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8]-[#6]-c2ccccc2)cc1 Show InChI InChI=1S/C34H50N4O3/c1-26(2)19-22-38(30-15-17-31(18-16-30)41-25-29-13-9-8-10-14-29)24-28(5)35-33(39)32(23-27(3)4)36-34(40)37-20-11-6-7-12-21-37/h8-10,13-19,27-28,32H,6-7,11-12,20-25H2,1-5H3,(H,35,39)(H,36,40)/t28-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells				J Med Chem 42: 4239-49 (1999) BindingDB Entry DOI: 10.7270/Q2QF8S22
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50369583 (CHEMBL452325) Show SMILES CN[C@@H](CC(C)C)C(=O)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H30F2N2O/c1-16(2)15-22(26-3)23(28)27-14-4-5-21(17-6-10-19(24)11-7-17)18-8-12-20(25)13-9-18/h6-13,16,21-22,26H,4-5,14-15H2,1-3H3,(H,27,28)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of N-type calcium channel in IMR32 human neuroblastoma cells using fluorescent [Ca2+] indicator Indo-1 in the presence of 5 uM nitrendipin...				J Med Chem 43: 3474-7 (2000) BindingDB Entry DOI: 10.7270/Q2V125H8
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50081686 (Azepane-1-carboxylic acid ((S)-1-{3-[(4-benzyloxy-...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6](-[#6]-1)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8]-[#6]-c2ccccc2)cc1 Show InChI InChI=1S/C36H52N4O3/c1-28(2)20-24-40(31-16-18-33(19-17-31)43-27-30-13-8-7-9-14-30)32-15-12-23-39(26-32)35(41)34(25-29(3)4)37-36(42)38-21-10-5-6-11-22-38/h7-9,13-14,16-20,29,32,34H,5-6,10-12,15,21-27H2,1-4H3,(H,37,42)/t32?,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells				J Med Chem 42: 4239-49 (1999) BindingDB Entry DOI: 10.7270/Q2QF8S22
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50081683 (Azepane-1-carboxylic acid {(S)-1-[4-(4-benzyloxy-p...) Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N1CCC(CC1)Nc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C31H44N4O3/c1-24(2)22-29(33-31(37)35-18-8-3-4-9-19-35)30(36)34-20-16-27(17-21-34)32-26-12-14-28(15-13-26)38-23-25-10-6-5-7-11-25/h5-7,10-15,24,27,29,32H,3-4,8-9,16-23H2,1-2H3,(H,33,37)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells				J Med Chem 42: 4239-49 (1999) BindingDB Entry DOI: 10.7270/Q2QF8S22
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50081693 (Azepane-1-carboxylic acid ((S)-1-{4-[(4-benzyloxy-...) Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N1CCC(CC1)N(CCC(C)O)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C35H52N4O4/c1-27(2)25-33(36-35(42)38-20-9-4-5-10-21-38)34(41)37-22-18-31(19-23-37)39(24-17-28(3)40)30-13-15-32(16-14-30)43-26-29-11-7-6-8-12-29/h6-8,11-16,27-28,31,33,40H,4-5,9-10,17-26H2,1-3H3,(H,36,42)/t28?,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells				J Med Chem 42: 4239-49 (1999) BindingDB Entry DOI: 10.7270/Q2QF8S22
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50081691 ((4-Benzyloxy-phenyl)-(3-methyl-but-2-enyl)-piperid...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#7](-[#6]-1-[#6]-[#6]-[#7]-[#6]-[#6]-1)-c1ccc(-[#8]-[#6]-c2ccccc2)cc1 Show InChI InChI=1S/C23H30N2O/c1-19(2)14-17-25(22-12-15-24-16-13-22)21-8-10-23(11-9-21)26-18-20-6-4-3-5-7-20/h3-11,14,22,24H,12-13,15-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells				J Med Chem 42: 4239-49 (1999) BindingDB Entry DOI: 10.7270/Q2QF8S22
					More data for this Ligand-Target Pair