Compile Data Set for Download or QSAR
Found 17 Enz. Inhib. hit(s) with all data for entry = 50011148
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
no Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50451199(CHEMBL65110)
Show SMILES COc1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C23H36N2O4S/c1-23(2,3)29-22(27)25-20(16-30-15-18-8-6-5-7-9-18)21(26)24-14-17-10-12-19(28-4)13-11-17/h10-13,18,20H,5-9,14-16H2,1-4H3,(H,24,26)(H,25,27)/t20-/m0/s1
Affinity DataIC50: 610nMAssay Description:In vitro inhibition against N-type calcium influx in IMR-32 cellsMore data for this Ligand-Target Pair
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
no Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50102915(CHEMBL431324 | [(R)-2-Cyclopentylmethylsulfanyl-1-...)
Show SMILES COc1ccc(CNC(=O)[C@H](CSCC2CCCC2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C22H34N2O4S/c1-22(2,3)28-21(26)24-19(15-29-14-17-7-5-6-8-17)20(25)23-13-16-9-11-18(27-4)12-10-16/h9-12,17,19H,5-8,13-15H2,1-4H3,(H,23,25)(H,24,26)/t19-/m0/s1
Affinity DataIC50: 630nMAssay Description:In vitro inhibition against N-type calcium influx in IMR-32 cellsMore data for this Ligand-Target Pair
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
no Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50451201(CHEMBL65360)
Show SMILES COc1ccc(CNC(=O)[C@H](COCC2CCCCC2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C23H36N2O5/c1-23(2,3)30-22(27)25-20(16-29-15-18-8-6-5-7-9-18)21(26)24-14-17-10-12-19(28-4)13-11-17/h10-13,18,20H,5-9,14-16H2,1-4H3,(H,24,26)(H,25,27)/t20-/m0/s1
Affinity DataIC50: 950nMAssay Description:In vitro inhibition against N-type calcium influx in IMR-32 cellsMore data for this Ligand-Target Pair
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
no Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50451196(CHEMBL305303)
Show SMILES COc1ccc(COC(=O)[C@H](COCC2CCCCC2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C23H35NO6/c1-23(2,3)30-22(26)24-20(16-28-14-17-8-6-5-7-9-17)21(25)29-15-18-10-12-19(27-4)13-11-18/h10-13,17,20H,5-9,14-16H2,1-4H3,(H,24,26)/t20-/m0/s1
Affinity DataIC50: 1.20E+3nMAssay Description:In vitro inhibition against N-type calcium influx in IMR-32 cellsMore data for this Ligand-Target Pair
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
no Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50451204(CHEMBL65402)
Show SMILES COc1ccc(COC(=O)[C@H](COC(=O)C2CCCCC2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C23H33NO7/c1-23(2,3)31-22(27)24-19(15-30-20(25)17-8-6-5-7-9-17)21(26)29-14-16-10-12-18(28-4)13-11-16/h10-13,17,19H,5-9,14-15H2,1-4H3,(H,24,27)/t19-/m0/s1
Affinity DataIC50: 1.60E+3nMAssay Description:In vitro inhibition against N-type calcium influx in IMR-32 cellsMore data for this Ligand-Target Pair
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
no Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50451207(CHEMBL65467)
Show SMILES COc1ccc(CN(C)C(=O)[C@H](COCC2CCCCC2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C24H38N2O5/c1-24(2,3)31-23(28)25-21(17-30-16-19-9-7-6-8-10-19)22(27)26(4)15-18-11-13-20(29-5)14-12-18/h11-14,19,21H,6-10,15-17H2,1-5H3,(H,25,28)/t21-/m0/s1
Affinity DataIC50: 1.80E+3nMAssay Description:In vitro inhibition against N-type calcium influx in IMR-32 cellsMore data for this Ligand-Target Pair
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
no Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50451208(CHEMBL2114022)
Show SMILES COc1ccc(COC(=O)[C@@H](CC(=O)OC2CCCC2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C22H31NO7/c1-22(2,3)30-21(26)23-18(13-19(24)29-17-7-5-6-8-17)20(25)28-14-15-9-11-16(27-4)12-10-15/h9-12,17-18H,5-8,13-14H2,1-4H3,(H,23,26)/t18-/m1/s1
Affinity DataIC50: 2.00E+3nMAssay Description:In vitro inhibition against N-type calcium influx in IMR-32 cellsMore data for this Ligand-Target Pair
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
no Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50451198(CHEMBL66138)
Show SMILES COc1ccc(COC(=O)[C@H](CC(=O)OC2CCCCC2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C23H33NO7/c1-23(2,3)31-22(27)24-19(14-20(25)30-18-8-6-5-7-9-18)21(26)29-15-16-10-12-17(28-4)13-11-16/h10-13,18-19H,5-9,14-15H2,1-4H3,(H,24,27)/t19-/m0/s1
Affinity DataIC50: 2.30E+3nMAssay Description:In vitro inhibition against N-type calcium influx in IMR-32 cellsMore data for this Ligand-Target Pair
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
no Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50451209(CHEMBL65117)
Show SMILES COc1ccc(COC(=O)[C@H](CC(=O)OC2CCCCCC2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C24H35NO7/c1-24(2,3)32-23(28)25-20(15-21(26)31-19-9-7-5-6-8-10-19)22(27)30-16-17-11-13-18(29-4)14-12-17/h11-14,19-20H,5-10,15-16H2,1-4H3,(H,25,28)/t20-/m0/s1
Affinity DataIC50: 2.60E+3nMAssay Description:In vitro inhibition against N-type calcium influx in IMR-32 cellsMore data for this Ligand-Target Pair
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
no Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50451205(CHEMBL293426)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCC1)C(=O)OCc1ccc(Cl)cc1
Show InChI InChI=1S/C21H28ClNO6/c1-21(2,3)29-20(26)23-17(12-18(24)28-16-6-4-5-7-16)19(25)27-13-14-8-10-15(22)11-9-14/h8-11,16-17H,4-7,12-13H2,1-3H3,(H,23,26)/t17-/m0/s1
Affinity DataIC50: 3.30E+3nMAssay Description:In vitro inhibition against N-type calcium influx in IMR-32 cellsMore data for this Ligand-Target Pair
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
no Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50451195(CHEMBL62518)
Show SMILES COc1ccc(COC(=O)[C@H](CC(=O)OC2CCCC2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C22H31NO7/c1-22(2,3)30-21(26)23-18(13-19(24)29-17-7-5-6-8-17)20(25)28-14-15-9-11-16(27-4)12-10-15/h9-12,17-18H,5-8,13-14H2,1-4H3,(H,23,26)/t18-/m0/s1
Affinity DataIC50: 3.40E+3nMAssay Description:In vitro inhibition against N-type calcium influx in IMR-32 cellsMore data for this Ligand-Target Pair
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
no Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50451202(CHEMBL302628)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCC1)C(=O)OCc1ccc(Br)cc1
Show InChI InChI=1S/C21H28BrNO6/c1-21(2,3)29-20(26)23-17(12-18(24)28-16-6-4-5-7-16)19(25)27-13-14-8-10-15(22)11-9-14/h8-11,16-17H,4-7,12-13H2,1-3H3,(H,23,26)/t17-/m0/s1
Affinity DataIC50: 3.40E+3nMAssay Description:In vitro inhibition against N-type calcium influx in IMR-32 cellsMore data for this Ligand-Target Pair
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
no Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50451210(CHEMBL294369)
Show SMILES COc1cccc(COC(=O)[C@H](CC(=O)OC2CCCC2)NC(=O)OC(C)(C)C)c1
Show InChI InChI=1S/C22H31NO7/c1-22(2,3)30-21(26)23-18(13-19(24)29-16-9-5-6-10-16)20(25)28-14-15-8-7-11-17(12-15)27-4/h7-8,11-12,16,18H,5-6,9-10,13-14H2,1-4H3,(H,23,26)/t18-/m0/s1
Affinity DataIC50: 3.80E+3nMAssay Description:In vitro inhibition against N-type calcium influx in IMR-32 cellsMore data for this Ligand-Target Pair
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
no Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50451206(CHEMBL305133)
Show SMILES COc1ccc(CNC(=O)[C@H](CCOC2CCCCC2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C23H36N2O5/c1-23(2,3)30-22(27)25-20(14-15-29-19-8-6-5-7-9-19)21(26)24-16-17-10-12-18(28-4)13-11-17/h10-13,19-20H,5-9,14-16H2,1-4H3,(H,24,26)(H,25,27)/t20-/m0/s1
Affinity DataIC50: 4.00E+3nMAssay Description:In vitro inhibition against N-type calcium influx in IMR-32 cellsMore data for this Ligand-Target Pair
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
no Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50451203(CHEMBL292090)
Show SMILES COc1ccccc1COC(=O)[C@H](CC(=O)OC1CCCC1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C22H31NO7/c1-22(2,3)30-21(26)23-17(13-19(24)29-16-10-6-7-11-16)20(25)28-14-15-9-5-8-12-18(15)27-4/h5,8-9,12,16-17H,6-7,10-11,13-14H2,1-4H3,(H,23,26)/t17-/m0/s1
Affinity DataIC50: 5.40E+3nMAssay Description:In vitro inhibition against N-type calcium influx in IMR-32 cellsMore data for this Ligand-Target Pair
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
no Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50451197(CHEMBL62825)
Show SMILES COc1ccc(COC(=O)[C@H](CC(=O)OC2CCC2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C21H29NO7/c1-21(2,3)29-20(25)22-17(12-18(23)28-16-6-5-7-16)19(24)27-13-14-8-10-15(26-4)11-9-14/h8-11,16-17H,5-7,12-13H2,1-4H3,(H,22,25)/t17-/m0/s1
Affinity DataIC50: 1.50E+4nMAssay Description:In vitro inhibition against N-type calcium influx in IMR-32 cellsMore data for this Ligand-Target Pair
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
no Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50451200(CHEMBL65145)
Show SMILES COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccc(OC)cc1
Show InChI InChI=1S/C18H25NO7/c1-18(2,3)26-17(22)19-14(10-15(20)24-5)16(21)25-11-12-6-8-13(23-4)9-7-12/h6-9,14H,10-11H2,1-5H3,(H,19,22)/t14-/m0/s1
Affinity DataIC50: 2.60E+4nMAssay Description:In vitro inhibition against N-type calcium influx in IMR-32 cellsMore data for this Ligand-Target Pair