Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50030407 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
(Rattus norvegicus (Rat)) | BDBM50295695
(2-(3-aminopropoxy)-N-(4-(3-aminopropoxy)benzyl)-N-...)Show SMILES NCCCOc1ccc(CN(C(=O)c2ccccc2OCCCN)c2nc3ccc(Oc4ccc(O)cc4)cc3s2)cc1 Show InChI InChI=1S/C33H34N4O5S/c34-17-3-19-40-25-11-7-23(8-12-25)22-37(32(39)28-5-1-2-6-30(28)41-20-4-18-35)33-36-29-16-15-27(21-31(29)43-33)42-26-13-9-24(38)10-14-26/h1-2,5-16,21,38H,3-4,17-20,22,34-35H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.18E+3 | n/a | n/a | n/a | n/a |
CSIRO Molecular and Health Technologies
Curated by ChEMBL
| Assay Description
Inhibition of rat neuronal Cav2.2 channel |
Bioorg Med Chem Lett 19: 2763-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Rattus norvegicus (Rat)) | BDBM50295696
(2-(3-aminopropoxy)-N-(4-(3-(diaminomethyleneamino)...)Show SMILES [#7]-[#6]-[#6]-[#6]-[#8]-c1ccccc1-[#6](=O)-[#7](-[#6]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1)-c1nc2ccc(-[#8]-c3ccccc3)cc2s1 Show InChI InChI=1S/C34H36N6O4S/c35-18-6-20-43-30-11-5-4-10-28(30)32(41)40(23-24-12-14-25(15-13-24)42-21-7-19-38-33(36)37)34-39-29-17-16-27(22-31(29)45-34)44-26-8-2-1-3-9-26/h1-5,8-17,22H,6-7,18-21,23,35H2,(H4,36,37,38) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.08E+3 | n/a | n/a | n/a | n/a |
CSIRO Molecular and Health Technologies
Curated by ChEMBL
| Assay Description
Inhibition of rat neuronal Cav2.2 channel |
Bioorg Med Chem Lett 19: 2763-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Rattus norvegicus (Rat)) | BDBM50295697
(2-(3-aminopropoxy)-N-(4-(3-(diaminomethyleneamino)...)Show SMILES [#7]-[#6]-[#6]-[#6]-[#8]-c1ccccc1-[#6](=O)-[#7](-[#6]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1)-c1nc2ccc(-[#8]-c3ccc(-[#8])cc3)cc2s1 Show InChI InChI=1S/C34H36N6O5S/c35-17-3-19-44-30-6-2-1-5-28(30)32(42)40(22-23-7-11-25(12-8-23)43-20-4-18-38-33(36)37)34-39-29-16-15-27(21-31(29)46-34)45-26-13-9-24(41)10-14-26/h1-2,5-16,21,41H,3-4,17-20,22,35H2,(H4,36,37,38) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.78E+3 | n/a | n/a | n/a | n/a |
CSIRO Molecular and Health Technologies
Curated by ChEMBL
| Assay Description
Inhibition of rat neuronal Cav2.2 channel |
Bioorg Med Chem Lett 19: 2763-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Rattus norvegicus (Rat)) | BDBM50295698
(2-(3-Amino-propoxy)-N-(6-phenoxy-benzothiazol-2-yl...)Show SMILES NCCCOc1ccccc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 Show InChI InChI=1S/C23H21N3O3S/c24-13-6-14-28-20-10-5-4-9-18(20)22(27)26-23-25-19-12-11-17(15-21(19)30-23)29-16-7-2-1-3-8-16/h1-5,7-12,15H,6,13-14,24H2,(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
CSIRO Molecular and Health Technologies
Curated by ChEMBL
| Assay Description
Inhibition of rat neuronal Cav2.2 channel |
Bioorg Med Chem Lett 19: 2763-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Rattus norvegicus (Rat)) | BDBM50295699
(2-(3-Guanidino-propoxy)-N-(6-phenoxy-benzothiazol-...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#8]-c1ccccc1-[#6](=O)-[#7]-c1nc2ccc(-[#8]-c3ccccc3)cc2s1 Show InChI InChI=1S/C24H23N5O3S/c25-23(26)27-13-6-14-31-20-10-5-4-9-18(20)22(30)29-24-28-19-12-11-17(15-21(19)33-24)32-16-7-2-1-3-8-16/h1-5,7-12,15H,6,13-14H2,(H4,25,26,27)(H,28,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a |
CSIRO Molecular and Health Technologies
Curated by ChEMBL
| Assay Description
Inhibition of rat neuronal Cav2.2 channel |
Bioorg Med Chem Lett 19: 2763-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Rattus norvegicus (Rat)) | BDBM50295700
(CHEMBL550448 | [4-(3-Amino-propoxy)-benzyl]-(6-phe...)Show InChI InChI=1S/C23H23N3O2S/c24-13-4-14-27-18-9-7-17(8-10-18)16-25-23-26-21-12-11-20(15-22(21)29-23)28-19-5-2-1-3-6-19/h1-3,5-12,15H,4,13-14,16,24H2,(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.60E+4 | n/a | n/a | n/a | n/a |
CSIRO Molecular and Health Technologies
Curated by ChEMBL
| Assay Description
Inhibition of rat neuronal Cav2.2 channel |
Bioorg Med Chem Lett 19: 2763-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Rattus norvegicus (Rat)) | BDBM50295707
(2-(3-(4-((2,2-diphenylethylamino)methyl)phenoxy)pr...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-[#6]-[#6](-c2ccccc2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H30N4O/c26-25(27)29-16-7-17-30-23-14-12-20(13-15-23)18-28-19-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-15,24,28H,7,16-19H2,(H4,26,27,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a |
CSIRO Molecular and Health Technologies
Curated by ChEMBL
| Assay Description
Inhibition of rat neuronal Cav2.2 channel |
Bioorg Med Chem Lett 19: 2763-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Rattus norvegicus (Rat)) | BDBM50295702
(CHEMBL552193 | [4-(3-Amino-propoxy)-benzyl]-(4-phe...)Show InChI InChI=1S/C22H24N2O2/c23-15-4-16-25-20-11-7-18(8-12-20)17-24-19-9-13-22(14-10-19)26-21-5-2-1-3-6-21/h1-3,5-14,24H,4,15-17,23H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a |
CSIRO Molecular and Health Technologies
Curated by ChEMBL
| Assay Description
Inhibition of rat neuronal Cav2.2 channel |
Bioorg Med Chem Lett 19: 2763-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Rattus norvegicus (Rat)) | BDBM50295703
(2-(3-(4-((4-phenoxyphenylamino)methyl)phenoxy)prop...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-c2ccc(-[#8]-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C23H26N4O2/c24-23(25)26-15-4-16-28-20-11-7-18(8-12-20)17-27-19-9-13-22(14-10-19)29-21-5-2-1-3-6-21/h1-3,5-14,27H,4,15-17H2,(H4,24,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a |
CSIRO Molecular and Health Technologies
Curated by ChEMBL
| Assay Description
Inhibition of rat neuronal Cav2.2 channel |
Bioorg Med Chem Lett 19: 2763-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Rattus norvegicus (Rat)) | BDBM50295704
(3-{4-[(Benzhydryl-amino)-methyl]-phenoxy}-propylam...)Show InChI InChI=1S/C23H26N2O/c24-16-7-17-26-22-14-12-19(13-15-22)18-25-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-15,23,25H,7,16-18,24H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
CSIRO Molecular and Health Technologies
Curated by ChEMBL
| Assay Description
Inhibition of rat neuronal Cav2.2 channel |
Bioorg Med Chem Lett 19: 2763-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Rattus norvegicus (Rat)) | BDBM50295705
(2-(3-(4-((benzhydrylamino)methyl)phenoxy)propyl)gu...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-[#6](-c2ccccc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H28N4O/c25-24(26)27-16-7-17-29-22-14-12-19(13-15-22)18-28-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-15,23,28H,7,16-18H2,(H4,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a |
CSIRO Molecular and Health Technologies
Curated by ChEMBL
| Assay Description
Inhibition of rat neuronal Cav2.2 channel |
Bioorg Med Chem Lett 19: 2763-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Rattus norvegicus (Rat)) | BDBM50295706
(3-{4-[(2,2-Diphenyl-ethylamino)-methyl]-phenoxy}-p...)Show InChI InChI=1S/C24H28N2O/c25-16-7-17-27-23-14-12-20(13-15-23)18-26-19-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-15,24,26H,7,16-19,25H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
CSIRO Molecular and Health Technologies
Curated by ChEMBL
| Assay Description
Inhibition of rat neuronal Cav2.2 channel |
Bioorg Med Chem Lett 19: 2763-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Rattus norvegicus (Rat)) | BDBM50295701
(CHEMBL565078 | N-(3-{4-[(6-Phenoxy-benzothiazol-2-...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-c2nc3ccc(-[#8]-c4ccccc4)cc3s2)cc1 Show InChI InChI=1S/C24H25N5O2S/c25-23(26)27-13-4-14-30-18-9-7-17(8-10-18)16-28-24-29-21-12-11-20(15-22(21)32-24)31-19-5-2-1-3-6-19/h1-3,5-12,15H,4,13-14,16H2,(H,28,29)(H4,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a |
CSIRO Molecular and Health Technologies
Curated by ChEMBL
| Assay Description
Inhibition of rat neuronal Cav2.2 channel |
Bioorg Med Chem Lett 19: 2763-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029 |
More data for this
Ligand-Target Pair | |
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