Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50048303 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 L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50029417
(CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...)Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50280077
(CHEMBL18988 | sec-Butyl-[4-(2,4-dimethoxy-phenyl)-...)Show SMILES CCC(C)NCc1ccc2C(Sc3ccccc3-n12)c1ccc(OC)cc1OC Show InChI InChI=1S/C24H28N2O2S/c1-5-16(2)25-15-17-10-13-21-24(19-12-11-18(27-3)14-22(19)28-4)29-23-9-7-6-8-20(23)26(17)21/h6-14,16,24-25H,5,15H2,1-4H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50004704
((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50029426
(CHEMBL24675 | [2-(3,4-Dimethoxy-phenyl)-ethyl]-[4-...)Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)CCc3ccc(OC)c(OC)c3)ccc12 Show InChI InChI=1S/C30H32N2O3S/c1-31(18-17-21-9-16-27(34-3)28(19-21)35-4)20-23-12-15-26-30(22-10-13-24(33-2)14-11-22)36-29-8-6-5-7-25(29)32(23)26/h5-16,19,30H,17-18,20H2,1-4H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50029418
(CHEMBL275195 | [4-(2,4-Dimethoxy-phenyl)-4H-benzo[...)Show SMILES COc1ccc(C2Sc3ccccc3-n3c(CN(C)C)ccc23)c(OC)c1 Show InChI InChI=1S/C22H24N2O2S/c1-23(2)14-15-9-12-19-22(17-11-10-16(25-3)13-20(17)26-4)27-21-8-6-5-7-18(21)24(15)19/h5-13,22H,14H2,1-4H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50029431
(CHEMBL277293 | Dimethyl-(4-phenyl-4H-benzo[b]pyrro...)Show InChI InChI=1S/C20H20N2S/c1-21(2)14-16-12-13-18-20(15-8-4-3-5-9-15)23-19-11-7-6-10-17(19)22(16)18/h3-13,20H,14H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 118 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50212320
(CHEMBL274514)Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CNCCc3ccc(OC)c(OC)c3)ccc12 Show InChI InChI=1S/C29H30N2O3S/c1-32-23-12-9-21(10-13-23)29-25-14-11-22(31(25)24-6-4-5-7-28(24)35-29)19-30-17-16-20-8-15-26(33-2)27(18-20)34-3/h4-15,18,29-30H,16-17,19H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| | 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50212319
(CHEMBL18412)Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CNc3ccc(F)cc3)ccc12 Show InChI InChI=1S/C25H21FN2OS/c1-29-21-13-6-17(7-14-21)25-23-15-12-20(16-27-19-10-8-18(26)9-11-19)28(23)22-4-2-3-5-24(22)30-25/h2-15,25,27H,16H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50029417
(CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...)Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50280077
(CHEMBL18988 | sec-Butyl-[4-(2,4-dimethoxy-phenyl)-...)Show SMILES CCC(C)NCc1ccc2C(Sc3ccccc3-n12)c1ccc(OC)cc1OC Show InChI InChI=1S/C24H28N2O2S/c1-5-16(2)25-15-17-10-13-21-24(19-12-11-18(27-3)14-22(19)28-4)29-23-9-7-6-8-20(23)26(17)21/h6-14,16,24-25H,5,15H2,1-4H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50004704
((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50029426
(CHEMBL24675 | [2-(3,4-Dimethoxy-phenyl)-ethyl]-[4-...)Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)CCc3ccc(OC)c(OC)c3)ccc12 Show InChI InChI=1S/C30H32N2O3S/c1-31(18-17-21-9-16-27(34-3)28(19-21)35-4)20-23-12-15-26-30(22-10-13-24(33-2)14-11-22)36-29-8-6-5-7-25(29)32(23)26/h5-16,19,30H,17-18,20H2,1-4H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50029418
(CHEMBL275195 | [4-(2,4-Dimethoxy-phenyl)-4H-benzo[...)Show SMILES COc1ccc(C2Sc3ccccc3-n3c(CN(C)C)ccc23)c(OC)c1 Show InChI InChI=1S/C22H24N2O2S/c1-23(2)14-15-9-12-19-22(17-11-10-16(25-3)13-20(17)26-4)27-21-8-6-5-7-18(21)24(15)19/h5-13,22H,14H2,1-4H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50029431
(CHEMBL277293 | Dimethyl-(4-phenyl-4H-benzo[b]pyrro...)Show InChI InChI=1S/C20H20N2S/c1-21(2)14-16-12-13-18-20(15-8-4-3-5-9-15)23-19-11-7-6-10-17(19)22(16)18/h3-13,20H,14H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 315 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50212320
(CHEMBL274514)Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CNCCc3ccc(OC)c(OC)c3)ccc12 Show InChI InChI=1S/C29H30N2O3S/c1-32-23-12-9-21(10-13-23)29-25-14-11-22(31(25)24-6-4-5-7-28(24)35-29)19-30-17-16-20-8-15-26(33-2)27(18-20)34-3/h4-15,18,29-30H,16-17,19H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| | n/a | n/a | 534 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S
(Rattus norvegicus-RAT) | BDBM50212319
(CHEMBL18412)Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CNc3ccc(F)cc3)ccc12 Show InChI InChI=1S/C25H21FN2OS/c1-29-21-13-6-17(7-14-21)25-23-15-12-20(16-27-19-10-8-18(26)9-11-19)28(23)22-4-2-3-5-24(22)30-25/h2-15,25,27H,16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 5.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this
Ligand-Target Pair | |
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