Found 58 hits with Last Name = 'maegawa' and Initial = 'h' 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 |
|---|
Gag-Pro polyprotein
(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...) | BDBM50155805
(CHEMBL415620 | H-Pro-Gln-Val-Apns-Dmt-Val-Met-His-...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H]1N(CSC1(C)C)C(=O)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O Show InChI InChI=1S/C47H71N11O11S2/c1-25(2)35(56-41(63)30(15-16-34(48)59)52-39(61)29-14-11-18-50-29)43(65)54-32(20-27-12-9-8-10-13-27)37(60)45(67)58-24-71-47(5,6)38(58)44(66)57-36(26(3)4)42(64)53-31(17-19-70-7)40(62)55-33(46(68)69)21-28-22-49-23-51-28/h8-10,12-13,22-23,25-26,29-33,35-38,50,60H,11,14-21,24H2,1-7H3,(H2,48,59)(H,49,51)(H,52,61)(H,53,64)(H,54,65)(H,55,62)(H,56,63)(H,57,66)(H,68,69)/t29-,30-,31-,32-,33-,35-,36-,37?,38+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibitory binding affinity towards synthesized human T-cell leukemia virus type I (HTLV-1) protease |
Bioorg Med Chem Lett 14: 5925-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.034
BindingDB Entry DOI: 10.7270/Q2CC11GW |
More data for this
Ligand-Target Pair | |
Gag-Pro polyprotein
(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...) | BDBM50155805
(CHEMBL415620 | H-Pro-Gln-Val-Apns-Dmt-Val-Met-His-...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H]1N(CSC1(C)C)C(=O)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O Show InChI InChI=1S/C47H71N11O11S2/c1-25(2)35(56-41(63)30(15-16-34(48)59)52-39(61)29-14-11-18-50-29)43(65)54-32(20-27-12-9-8-10-13-27)37(60)45(67)58-24-71-47(5,6)38(58)44(66)57-36(26(3)4)42(64)53-31(17-19-70-7)40(62)55-33(46(68)69)21-28-22-49-23-51-28/h8-10,12-13,22-23,25-26,29-33,35-38,50,60H,11,14-21,24H2,1-7H3,(H2,48,59)(H,49,51)(H,52,61)(H,53,64)(H,54,65)(H,55,62)(H,56,63)(H,57,66)(H,68,69)/t29-,30-,31-,32-,33-,35-,36-,37?,38+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibitory binding affinity towards recombinant human T-cell leukemia virus type I (HTLV-1) protease |
Bioorg Med Chem Lett 14: 5925-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.034
BindingDB Entry DOI: 10.7270/Q2CC11GW |
More data for this
Ligand-Target Pair | |
Gag-Pro polyprotein
(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...) | BDBM912
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1 | PDB
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| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
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Similars
| Article
PubMed
| 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibitory binding affinity towards recombinant human T-cell leukemia virus type I (HTLV-1) protease |
Bioorg Med Chem Lett 14: 5925-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.034
BindingDB Entry DOI: 10.7270/Q2CC11GW |
More data for this
Ligand-Target Pair | |
Gag-Pro polyprotein
(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...) | BDBM912
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1 | PDB
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| Purchase
CHEMBL
MCE
KEGG
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PC cid
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PDB
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| Article
PubMed
| 3.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibitory binding affinity towards synthesized human T-cell leukemia virus type I (HTLV-1) protease |
Bioorg Med Chem Lett 14: 5925-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.034
BindingDB Entry DOI: 10.7270/Q2CC11GW |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111936
((R)-3-(2-Methoxy-acetyl)-thiazolidine-4-carboxylic...)Show SMILES COCC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C30H39N3O5S2/c1-37-17-28(34)33-21-40-20-27(33)30(36)32-26(19-39-18-23-8-4-2-5-9-23)29(35)31-16-22-12-14-25(15-13-22)38-24-10-6-3-7-11-24/h3,6-7,10-15,23,26-27H,2,4-5,8-9,16-21H2,1H3,(H,31,35)(H,32,36)/t26-,27-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
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| PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111944
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-phenoxy...)Show SMILES COC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C29H37N3O5S2/c1-36-29(35)32-20-39-19-26(32)28(34)31-25(18-38-17-22-8-4-2-5-9-22)27(33)30-16-21-12-14-24(15-13-21)37-23-10-6-3-7-11-23/h3,6-7,10-15,22,25-26H,2,4-5,8-9,16-20H2,1H3,(H,30,33)(H,31,34)/t25-,26-/m0/s1 | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111940
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-phenoxy...)Show SMILES CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C32H43N3O5S2/c1-32(2,3)40-31(38)35-22-42-21-28(35)30(37)34-27(20-41-19-24-10-6-4-7-11-24)29(36)33-18-23-14-16-26(17-15-23)39-25-12-8-5-9-13-25/h5,8-9,12-17,24,27-28H,4,6-7,10-11,18-22H2,1-3H3,(H,33,36)(H,34,37)/t27-,28-/m0/s1 | PDB
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111940
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-phenoxy...)Show SMILES CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C32H43N3O5S2/c1-32(2,3)40-31(38)35-22-42-21-28(35)30(37)34-27(20-41-19-24-10-6-4-7-11-24)29(36)33-18-23-14-16-26(17-15-23)39-25-12-8-5-9-13-25/h5,8-9,12-17,24,27-28H,4,6-7,10-11,18-22H2,1-3H3,(H,33,36)(H,34,37)/t27-,28-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channel influx in IMR-32 human neuroblastoma cells |
Bioorg Med Chem Lett 12: 2267-9 (2002)
BindingDB Entry DOI: 10.7270/Q2VH5N60 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50116658
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(1-phenyl-...)Show SMILES CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NC1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C30H46N4O4S2/c1-30(2,3)38-29(37)34-21-40-20-26(34)28(36)32-25(19-39-18-22-10-6-4-7-11-22)27(35)31-23-14-16-33(17-15-23)24-12-8-5-9-13-24/h5,8-9,12-13,22-23,25-26H,4,6-7,10-11,14-21H2,1-3H3,(H,31,35)(H,32,36)/t25-,26-/m0/s1 | PDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channel influx in IMR-32 human neuroblastoma cells |
Bioorg Med Chem Lett 12: 2267-9 (2002)
BindingDB Entry DOI: 10.7270/Q2VH5N60 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111945
((R)-3-(2-Methoxy-ethyl)-thiazolidine-4-carboxylic ...)Show SMILES COCCN1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C30H41N3O4S2/c1-36-17-16-33-22-39-21-28(33)30(35)32-27(20-38-19-24-8-4-2-5-9-24)29(34)31-18-23-12-14-26(15-13-23)37-25-10-6-3-7-11-25/h3,6-7,10-15,24,27-28H,2,4-5,8-9,16-22H2,1H3,(H,31,34)(H,32,35)/t27-,28-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111935
((R)-Thiazolidine-4-carboxylic acid [(R)-2-cyclohex...)Show SMILES O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H](CSCC1CCCCC1)NC(=O)[C@@H]1CSCN1 Show InChI InChI=1S/C27H35N3O3S2/c31-26(28-15-20-11-13-23(14-12-20)33-22-9-5-2-6-10-22)25(30-27(32)24-17-35-19-29-24)18-34-16-21-7-3-1-4-8-21/h2,5-6,9-14,21,24-25,29H,1,3-4,7-8,15-19H2,(H,28,31)(H,30,32)/t24-,25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50116653
((R)-4-[(R)-1-(1-Benzyl-piperidin-4-ylcarbamoyl)-2-...)Show SMILES CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C31H48N4O4S2/c1-31(2,3)39-30(38)35-22-41-21-27(35)29(37)33-26(20-40-19-24-12-8-5-9-13-24)28(36)32-25-14-16-34(17-15-25)18-23-10-6-4-7-11-23/h4,6-7,10-11,24-27H,5,8-9,12-22H2,1-3H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channel influx in IMR-32 human neuroblastoma cells |
Bioorg Med Chem Lett 12: 2267-9 (2002)
BindingDB Entry DOI: 10.7270/Q2VH5N60 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111949
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-phenoxy...)Show SMILES C=CCOC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C31H39N3O5S2/c1-2-17-38-31(37)34-22-41-21-28(34)30(36)33-27(20-40-19-24-9-5-3-6-10-24)29(35)32-18-23-13-15-26(16-14-23)39-25-11-7-4-8-12-25/h2,4,7-8,11-16,24,27-28H,1,3,5-6,9-10,17-22H2,(H,32,35)(H,33,36)/t27-,28-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111938
((R)-3-(2-Hydroxy-ethyl)-thiazolidine-4-carboxylic ...)Show SMILES OCCN1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C29H39N3O4S2/c33-16-15-32-21-38-20-27(32)29(35)31-26(19-37-18-23-7-3-1-4-8-23)28(34)30-17-22-11-13-25(14-12-22)36-24-9-5-2-6-10-24/h2,5-6,9-14,23,26-27,33H,1,3-4,7-8,15-21H2,(H,30,34)(H,31,35)/t26-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111948
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-phenoxy...)Show SMILES CC(C)COC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C32H43N3O5S2/c1-23(2)18-39-32(38)35-22-42-21-29(35)31(37)34-28(20-41-19-25-9-5-3-6-10-25)30(36)33-17-24-13-15-27(16-14-24)40-26-11-7-4-8-12-26/h4,7-8,11-16,23,25,28-29H,3,5-6,9-10,17-22H2,1-2H3,(H,33,36)(H,34,37)/t28-,29-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50116657
((R)-4-[(R)-2-(4-Benzyl-piperazin-1-yl)-1-cyclohexy...)Show SMILES CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C30H46N4O4S2/c1-30(2,3)38-29(37)34-22-40-21-26(34)27(35)31-25(20-39-19-24-12-8-5-9-13-24)28(36)33-16-14-32(15-17-33)18-23-10-6-4-7-11-23/h4,6-7,10-11,24-26H,5,8-9,12-22H2,1-3H3,(H,31,35)/t25-,26-/m0/s1 | PDB
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Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channel influx in IMR-32 human neuroblastoma cells |
Bioorg Med Chem Lett 12: 2267-9 (2002)
BindingDB Entry DOI: 10.7270/Q2VH5N60 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50116652
((R)-4-[(R)-1-(2-Benzylamino-ethylcarbamoyl)-2-cycl...)Show SMILES CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCCNCc1ccccc1 Show InChI InChI=1S/C28H44N4O4S2/c1-28(2,3)36-27(35)32-20-38-19-24(32)26(34)31-23(18-37-17-22-12-8-5-9-13-22)25(33)30-15-14-29-16-21-10-6-4-7-11-21/h4,6-7,10-11,22-24,29H,5,8-9,12-20H2,1-3H3,(H,30,33)(H,31,34)/t23-,24-/m0/s1 | PDB
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Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channel influx in IMR-32 human neuroblastoma cells |
Bioorg Med Chem Lett 12: 2267-9 (2002)
BindingDB Entry DOI: 10.7270/Q2VH5N60 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50116655
((R)-4-[(R)-1-Cyclohexylmethylsulfanylmethyl-2-oxo-...)Show SMILES CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C29H44N4O4S2/c1-29(2,3)37-28(36)33-21-39-20-25(33)26(34)30-24(19-38-18-22-10-6-4-7-11-22)27(35)32-16-14-31(15-17-32)23-12-8-5-9-13-23/h5,8-9,12-13,22,24-25H,4,6-7,10-11,14-21H2,1-3H3,(H,30,34)/t24-,25-/m0/s1 | PDB
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Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channel influx in IMR-32 human neuroblastoma cells |
Bioorg Med Chem Lett 12: 2267-9 (2002)
BindingDB Entry DOI: 10.7270/Q2VH5N60 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111950
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-methoxy...)Show SMILES COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C27H40N2O6S2/c1-27(2,3)35-26(32)29-18-37-17-23(29)24(30)28-22(16-36-15-20-8-6-5-7-9-20)25(31)34-14-19-10-12-21(33-4)13-11-19/h10-13,20,22-23H,5-9,14-18H2,1-4H3,(H,28,30)/t22-,23-/m0/s1 | PDB
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Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50116654
((R)-4-[(R)-2-(4-Benzylamino-piperidin-1-yl)-1-cycl...)Show SMILES CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCC(CC1)NCc1ccccc1 Show InChI InChI=1S/C31H48N4O4S2/c1-31(2,3)39-30(38)35-22-41-21-27(35)28(36)33-26(20-40-19-24-12-8-5-9-13-24)29(37)34-16-14-25(15-17-34)32-18-23-10-6-4-7-11-23/h4,6-7,10-11,24-27,32H,5,8-9,12-22H2,1-3H3,(H,33,36)/t26-,27-/m0/s1 | PDB
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Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channel influx in IMR-32 human neuroblastoma cells |
Bioorg Med Chem Lett 12: 2267-9 (2002)
BindingDB Entry DOI: 10.7270/Q2VH5N60 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111939
((R)-4-[(R)-1-(4-Benzyloxy-benzylcarbamoyl)-2-cyclo...)Show SMILES CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C33H45N3O5S2/c1-33(2,3)41-32(39)36-23-43-22-29(36)31(38)35-28(21-42-20-26-12-8-5-9-13-26)30(37)34-18-24-14-16-27(17-15-24)40-19-25-10-6-4-7-11-25/h4,6-7,10-11,14-17,26,28-29H,5,8-9,12-13,18-23H2,1-3H3,(H,34,37)(H,35,38)/t28-,29-/m0/s1 | PDB
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Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111947
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-nitro-b...)Show SMILES CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H38N4O6S2/c1-26(2,3)36-25(33)29-17-38-16-22(29)24(32)28-21(15-37-14-19-7-5-4-6-8-19)23(31)27-13-18-9-11-20(12-10-18)30(34)35/h9-12,19,21-22H,4-8,13-17H2,1-3H3,(H,27,31)(H,28,32)/t21-,22-/m0/s1 | PDB
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Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111946
((R)-2-tert-Butoxycarbonylamino-3-cyclohexylmethyls...)Show SMILES COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C23H35NO5S/c1-23(2,3)29-22(26)24-20(16-30-15-18-8-6-5-7-9-18)21(25)28-14-17-10-12-19(27-4)13-11-17/h10-13,18,20H,5-9,14-16H2,1-4H3,(H,24,26)/t20-/m0/s1 | PDB
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Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50451199
(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 | PDB
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no Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition against N-type calcium influx in IMR-32 cells |
Bioorg Med Chem Lett 11: 2067-70 (2001)
BindingDB Entry DOI: 10.7270/Q2HD7TX3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111933
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-dimethy...)Show SMILES CN(C)c1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C28H44N4O4S2/c1-28(2,3)36-27(35)32-19-38-18-24(32)26(34)30-23(17-37-16-21-9-7-6-8-10-21)25(33)29-15-20-11-13-22(14-12-20)31(4)5/h11-14,21,23-24H,6-10,15-19H2,1-5H3,(H,29,33)(H,30,34)/t23-,24-/m0/s1 | PDB
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Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50102915
(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 | PDB
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| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
no Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition against N-type calcium influx in IMR-32 cells |
Bioorg Med Chem Lett 11: 2067-70 (2001)
BindingDB Entry DOI: 10.7270/Q2HD7TX3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50102915
(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 | PDB
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| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50116656
((R)-4-[(R)-1-Cyclohexylmethylsulfanylmethyl-2-oxo-...)Show SMILES CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCC(CC1)Nc1ccccc1 Show InChI InChI=1S/C30H46N4O4S2/c1-30(2,3)38-29(37)34-21-40-20-26(34)27(35)32-25(19-39-18-22-10-6-4-7-11-22)28(36)33-16-14-24(15-17-33)31-23-12-8-5-9-13-23/h5,8-9,12-13,22,24-26,31H,4,6-7,10-11,14-21H2,1-3H3,(H,32,35)/t25-,26-/m0/s1 | PDB
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Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channel influx in IMR-32 human neuroblastoma cells |
Bioorg Med Chem Lett 12: 2267-9 (2002)
BindingDB Entry DOI: 10.7270/Q2VH5N60 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111937
((R)-3-Cyclohexylmethylsulfanyl-2-isobutoxycarbonyl...)Show SMILES COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)OCC(C)C)cc1 Show InChI InChI=1S/C23H35NO5S/c1-17(2)13-29-23(26)24-21(16-30-15-19-7-5-4-6-8-19)22(25)28-14-18-9-11-20(27-3)12-10-18/h9-12,17,19,21H,4-8,13-16H2,1-3H3,(H,24,26)/t21-/m0/s1 | PDB
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| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111941
((S)-2-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-methoxy...)Show SMILES COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C28H42N2O6S/c1-28(2,3)36-27(33)30-16-8-11-24(30)25(31)29-23(19-37-18-21-9-6-5-7-10-21)26(32)35-17-20-12-14-22(34-4)15-13-20/h12-15,21,23-24H,5-11,16-19H2,1-4H3,(H,29,31)/t23-,24-/m0/s1 | PDB
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| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111953
((R)-3-Cyclohexylmethylsulfanyl-2-(cyclopentanecarb...)Show SMILES COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)C2CCCC2)cc1 Show InChI InChI=1S/C24H35NO4S/c1-28-21-13-11-18(12-14-21)15-29-24(27)22(25-23(26)20-9-5-6-10-20)17-30-16-19-7-3-2-4-8-19/h11-14,19-20,22H,2-10,15-17H2,1H3,(H,25,26)/t22-/m0/s1 | PDB
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| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50451201
(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 | PDB
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| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
no Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition against N-type calcium influx in IMR-32 cells |
Bioorg Med Chem Lett 11: 2067-70 (2001)
BindingDB Entry DOI: 10.7270/Q2HD7TX3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111943
((R)-3-Cyclohexylmethylsulfanyl-2-(3-methyl-butyryl...)Show SMILES COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)CC(C)C)cc1 Show InChI InChI=1S/C23H35NO4S/c1-17(2)13-22(25)24-21(16-29-15-19-7-5-4-6-8-19)23(26)28-14-18-9-11-20(27-3)12-10-18/h9-12,17,19,21H,4-8,13-16H2,1-3H3,(H,24,25)/t21-/m0/s1 | PDB
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50451196
(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 | PDB
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
no Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition against N-type calcium influx in IMR-32 cells |
Bioorg Med Chem Lett 11: 2067-70 (2001)
BindingDB Entry DOI: 10.7270/Q2HD7TX3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111954
((R)-2-(Cyclohexanecarbonyl-amino)-3-cyclohexylmeth...)Show SMILES COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)C2CCCCC2)cc1 Show InChI InChI=1S/C25H37NO4S/c1-29-22-14-12-19(13-15-22)16-30-25(28)23(18-31-17-20-8-4-2-5-9-20)26-24(27)21-10-6-3-7-11-21/h12-15,20-21,23H,2-11,16-18H2,1H3,(H,26,27)/t23-/m0/s1 | PDB
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| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50451204
(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 | PDB
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| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
no Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition against N-type calcium influx in IMR-32 cells |
Bioorg Med Chem Lett 11: 2067-70 (2001)
BindingDB Entry DOI: 10.7270/Q2HD7TX3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50451207
(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 | PDB
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| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
no Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition against N-type calcium influx in IMR-32 cells |
Bioorg Med Chem Lett 11: 2067-70 (2001)
BindingDB Entry DOI: 10.7270/Q2HD7TX3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111951
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-hydroxy...)Show SMILES CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(O)cc1 Show InChI InChI=1S/C26H39N3O5S2/c1-26(2,3)34-25(33)29-17-36-16-22(29)24(32)28-21(15-35-14-19-7-5-4-6-8-19)23(31)27-13-18-9-11-20(30)12-10-18/h9-12,19,21-22,30H,4-8,13-17H2,1-3H3,(H,27,31)(H,28,32)/t21-,22-/m0/s1 | PDB
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| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111952
((R)-3-Cyclohexylmethylsulfanyl-2-[(thiazole-4-carb...)Show SMILES COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)c2cscn2)cc1 Show InChI InChI=1S/C22H28N2O4S2/c1-27-18-9-7-16(8-10-18)11-28-22(26)20(24-21(25)19-13-30-15-23-19)14-29-12-17-5-3-2-4-6-17/h7-10,13,15,17,20H,2-6,11-12,14H2,1H3,(H,24,25)/t20-/m0/s1 | PDB
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| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50451208
(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 | PDB
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
no Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition against N-type calcium influx in IMR-32 cells |
Bioorg Med Chem Lett 11: 2067-70 (2001)
BindingDB Entry DOI: 10.7270/Q2HD7TX3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50451198
(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 | PDB
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| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
no Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition against N-type calcium influx in IMR-32 cells |
Bioorg Med Chem Lett 11: 2067-70 (2001)
BindingDB Entry DOI: 10.7270/Q2HD7TX3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50451209
(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 | PDB
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| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
no Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition against N-type calcium influx in IMR-32 cells |
Bioorg Med Chem Lett 11: 2067-70 (2001)
BindingDB Entry DOI: 10.7270/Q2HD7TX3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50111942
((R)-3-Cyclohexylmethylsulfanyl-2-[((R)-thiazolidin...)Show SMILES COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)[C@@H]2CSCN2)cc1 Show InChI InChI=1S/C22H32N2O4S2/c1-27-18-9-7-16(8-10-18)11-28-22(26)20(24-21(25)19-13-30-15-23-19)14-29-12-17-5-3-2-4-6-17/h7-10,17,19-20,23H,2-6,11-15H2,1H3,(H,24,25)/t19-,20-/m0/s1 | PDB
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| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells. |
Bioorg Med Chem Lett 12: 915-8 (2002)
BindingDB Entry DOI: 10.7270/Q2D50M83 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50451205
(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 | PDB
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| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
no Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition against N-type calcium influx in IMR-32 cells |
Bioorg Med Chem Lett 11: 2067-70 (2001)
BindingDB Entry DOI: 10.7270/Q2HD7TX3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50451195
(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 | PDB
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| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
no Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition against N-type calcium influx in IMR-32 cells |
Bioorg Med Chem Lett 11: 2067-70 (2001)
BindingDB Entry DOI: 10.7270/Q2HD7TX3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50451202
(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 | PDB
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| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
no Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition against N-type calcium influx in IMR-32 cells |
Bioorg Med Chem Lett 11: 2067-70 (2001)
BindingDB Entry DOI: 10.7270/Q2HD7TX3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50451210
(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 | PDB
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| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
no Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition against N-type calcium influx in IMR-32 cells |
Bioorg Med Chem Lett 11: 2067-70 (2001)
BindingDB Entry DOI: 10.7270/Q2HD7TX3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50451206
(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 | PDB
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| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
no Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition against N-type calcium influx in IMR-32 cells |
Bioorg Med Chem Lett 11: 2067-70 (2001)
BindingDB Entry DOI: 10.7270/Q2HD7TX3 |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM84610
(5-(3,5-dichlorophenoxy)-N-(4-pyrdinyl)-2- furamide...)Show InChI InChI=1S/C16H10Cl2N2O3/c17-10-7-11(18)9-13(8-10)22-15-2-1-14(23-15)16(21)20-12-3-5-19-6-4-12/h1-9H,(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
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DrugBank
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| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | 5.5 | 37 |
Research Institute, Hospital for Sick Children
| Assay Description
Beta-glucocerebrosidase (GCase) activity was measured by release of 4-methylumbelliferyl fluorophore from MUClc. |
Chembiochem 9: 2650-62 (2008)
Article DOI: 10.1002/cbic.200800304
BindingDB Entry DOI: 10.7270/Q2JQ0ZJK |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50451203
(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 | PDB
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| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
no Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition against N-type calcium influx in IMR-32 cells |
Bioorg Med Chem Lett 11: 2067-70 (2001)
BindingDB Entry DOI: 10.7270/Q2HD7TX3 |
More data for this
Ligand-Target Pair | |
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