Found 5011 hits with Last Name = 'lim' and Initial = 's' 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 |
|---|
Prothrombin
(Homo sapiens (Human)) | BDBM50456028
(CHEMBL2028993)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#5](-[#8])-[#8] |r| Show InChI InChI=1S/C24H39BN6O6/c1-24(2,3)37-23(34)29-17(15-16-9-5-4-6-10-16)21(33)31-14-8-11-18(31)20(32)30-19(25(35)36)12-7-13-28-22(26)27/h4-6,9-10,17-19,35-36H,7-8,11-15H2,1-3H3,(H,29,34)(H,30,32)(H4,26,27,28)/t17-,18+,19?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.00400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Du Pont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition constant for binding with thrombin was determined |
J Med Chem 36: 1831-8 (1993)
BindingDB Entry DOI: 10.7270/Q21G0KB8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50451005
(CHEMBL290376 | DuP-714)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O |r| Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
PubMed
| 0.0410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Du Pont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition constant for binding with thrombin was determined |
J Med Chem 36: 1831-8 (1993)
BindingDB Entry DOI: 10.7270/Q21G0KB8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50366620
(RESINIFERATOXIN)Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O |r,t:10,35,TLB:23:15:12:24.25.26,THB:16:15:12:24.25.26| Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35+,36?,37-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay |
Bioorg Med Chem Lett 21: 299-302 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50333930
(CHEMBL1644419 | [(2R,6R,10S,15S,17R)-13-benzyl-6-h...)Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1N |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15| Show InChI InChI=1S/C37H41NO8/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,41H,1,16-20,38H2,2-5H3/t23-,27+,30-,33?,34-,35+,36?,37?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay |
Bioorg Med Chem Lett 21: 299-302 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50333927
(CHEMBL1644416 | [(2R,6R,10S,15S,17R)-13-benzyl-6-h...)Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Br)c1O |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15| Show InChI InChI=1S/C37H39BrO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33?,34-,35+,36?,37?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay |
Bioorg Med Chem Lett 21: 299-302 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50333925
(CHEMBL1644414 | [(2R,6R,10S,15S,17R)-13-benzyl-6-h...)Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(F)c1O |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15| Show InChI InChI=1S/C37H39FO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33?,34-,35+,36?,37?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay |
Bioorg Med Chem Lett 21: 299-302 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50333928
(CHEMBL1644417 | [(2R,6R,10S,15S,17R)-13-benzyl-6-h...)Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Br)c1OC(C)=O |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15| Show InChI InChI=1S/C39H41BrO10/c1-21(2)37-17-23(4)39-28(35(37)48-38(49-37,50-39)19-25-10-8-7-9-11-25)13-27(18-36(44)31(39)12-22(3)34(36)43)20-46-32(42)16-26-14-29(40)33(47-24(5)41)30(15-26)45-6/h7-15,23,28,31,35,44H,1,16-20H2,2-6H3/t23-,28+,31-,35?,36-,37+,38?,39?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay |
Bioorg Med Chem Lett 21: 299-302 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50456027
(CHEMBL2028992)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#5](-[#8])-[#8] |r| Show InChI InChI=1S/C21H35BN6O6/c1-21(2,3)34-20(31)27-15(12-14-8-5-4-6-9-14)18(30)26-13-17(29)28-16(22(32)33)10-7-11-25-19(23)24/h4-6,8-9,15-16,32-33H,7,10-13H2,1-3H3,(H,26,30)(H,27,31)(H,28,29)(H4,23,24,25)/t15-,16?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Du Pont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition constant for binding with thrombin was determined |
J Med Chem 36: 1831-8 (1993)
BindingDB Entry DOI: 10.7270/Q21G0KB8 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM349368
(US10207991, Ex. Cpd. No. 11 | US10611728, Example ...)Show SMILES COc1cc2CN(Cc2cc1OC)[C@H](C)CCc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H23Cl2NO2/c1-13(4-5-14-6-7-17(21)18(22)8-14)23-11-15-9-19(24-2)20(25-3)10-16(15)12-23/h6-10,13H,4-5,11-12H2,1-3H3/t13-/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Sigma 2-receptor (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50440401
(CHEMBL2425550)Show SMILES COc1cc(OC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26| Show InChI InChI=1S/C36H39NO9/c1-20(2)34-16-22(4)36-26(31(34)44-35(45-34,46-36)18-23-9-7-6-8-10-23)14-24(17-33(40)29(36)13-21(3)30(33)38)19-42-32(39)43-25-11-12-27(37)28(15-25)41-5/h6-15,22,26,29,31,40H,1,16-19,37H2,2-5H3/t22-,26+,29-,31-,33-,34-,35-,36-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells |
Eur J Med Chem 68: 233-43 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50333924
(2-iodo Resiniferatoxin | CHEMBL1644413)Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(I)c1O |r,t:10,35,TLB:39:24:12:29.14.15,THB:27:26:12:29.14.15,23:24:12:29.14.15,23:15:12:24.25.26| Show InChI InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33?,34-,35+,36?,37?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay |
Bioorg Med Chem Lett 21: 299-302 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50333931
(CHEMBL1644420 | [(2R,6R,10S,15S,17R)-13-benzyl-6-h...)Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(F)c1N |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15| Show InChI InChI=1S/C37H40FNO8/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(40)15-24-13-27(38)31(39)28(14-24)43-5/h6-14,22,26,29,33,42H,1,15-19,39H2,2-5H3/t22-,26+,29-,33?,34-,35+,36?,37?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay |
Bioorg Med Chem Lett 21: 299-302 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50333932
(CHEMBL1644421 | [(2R,6R,10S,15S,17R)-13-benzyl-6-h...)Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Cl)c1N |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15| Show InChI InChI=1S/C37H40ClNO8/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(40)15-24-13-27(38)31(39)28(14-24)43-5/h6-14,22,26,29,33,42H,1,15-19,39H2,2-5H3/t22-,26+,29-,33?,34-,35+,36?,37?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay |
Bioorg Med Chem Lett 21: 299-302 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50333926
(CHEMBL1644415 | [(2R,6R,10S,15S,17R)-13-benzyl-6-h...)Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Cl)c1O |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15| Show InChI InChI=1S/C37H39ClO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33?,34-,35+,36?,37?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.03 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay |
Bioorg Med Chem Lett 21: 299-302 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50366620
(RESINIFERATOXIN)Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O |r,t:10,35,TLB:23:15:12:24.25.26,THB:16:15:12:24.25.26| Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35+,36?,37-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells |
Eur J Med Chem 68: 233-43 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50440402
(CHEMBL2425547)Show SMILES COc1cc(OC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(F)c1O |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26| Show InChI InChI=1S/C36H37FO10/c1-19(2)34-15-21(4)36-25(31(34)45-35(46-34,47-36)17-22-9-7-6-8-10-22)12-23(16-33(41)28(36)11-20(3)30(33)39)18-43-32(40)44-24-13-26(37)29(38)27(14-24)42-5/h6-14,21,25,28,31,38,41H,1,15-18H2,2-5H3/t21-,25+,28-,31-,33-,34-,35-,36-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells |
Eur J Med Chem 68: 233-43 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50440400
(CHEMBL2425551)Show SMILES COc1cc(OC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1NS(C)(=O)=O |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26| Show InChI InChI=1S/C37H41NO11S/c1-21(2)35-17-23(4)37-27(32(35)47-36(48-35,49-37)19-24-10-8-7-9-11-24)15-25(18-34(41)30(37)14-22(3)31(34)39)20-45-33(40)46-26-12-13-28(29(16-26)44-5)38-50(6,42)43/h7-16,23,27,30,32,38,41H,1,17-20H2,2-6H3/t23-,27+,30-,32-,34-,35-,36-,37-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells |
Eur J Med Chem 68: 233-43 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50440398
(CHEMBL2425548)Show SMILES COc1cc(OC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Cl)c1O |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26| Show InChI InChI=1S/C36H37ClO10/c1-19(2)34-15-21(4)36-25(31(34)45-35(46-34,47-36)17-22-9-7-6-8-10-22)12-23(16-33(41)28(36)11-20(3)30(33)39)18-43-32(40)44-24-13-26(37)29(38)27(14-24)42-5/h6-14,21,25,28,31,38,41H,1,15-18H2,2-5H3/t21-,25+,28-,31-,33-,34-,35-,36-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells |
Eur J Med Chem 68: 233-43 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50440397
(CHEMBL2425549)Show SMILES COc1cc(OC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Br)c1O |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26| Show InChI InChI=1S/C36H37BrO10/c1-19(2)34-15-21(4)36-25(31(34)45-35(46-34,47-36)17-22-9-7-6-8-10-22)12-23(16-33(41)28(36)11-20(3)30(33)39)18-43-32(40)44-24-13-26(37)29(38)27(14-24)42-5/h6-14,21,25,28,31,38,41H,1,15-18H2,2-5H3/t21-,25+,28-,31-,33-,34-,35-,36-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells |
Eur J Med Chem 68: 233-43 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50305285
(CHEMBL595262 | [(1R,2R,6R,10S,11R,13S,15R,17R)-13-...)Show SMILES COc1cc(OC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(I)c1O |r,t:10,35,TLB:16:15:12:25.26.24,THB:23:15:12:25.26.24| Show InChI InChI=1S/C36H37IO10/c1-19(2)34-15-21(4)36-25(31(34)45-35(46-34,47-36)17-22-9-7-6-8-10-22)12-23(16-33(41)28(36)11-20(3)30(33)39)18-43-32(40)44-24-13-26(37)29(38)27(14-24)42-5/h6-14,21,25,28,31,38,41H,1,15-18H2,2-5H3/t21-,25+,28-,31-,33-,34-,35-,36-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells |
Eur J Med Chem 68: 233-43 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50440395
(CHEMBL2425546)Show SMILES COc1cc(OC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Br)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26| Show InChI InChI=1S/C36H38BrNO9/c1-19(2)34-15-21(4)36-25(31(34)45-35(46-34,47-36)17-22-9-7-6-8-10-22)12-23(16-33(41)28(36)11-20(3)30(33)39)18-43-32(40)44-24-13-26(37)29(38)27(14-24)42-5/h6-14,21,25,28,31,41H,1,15-18,38H2,2-5H3/t21-,25+,28-,31-,33-,34-,35-,36-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells |
Eur J Med Chem 68: 233-43 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50333933
(5-bromo-4-amino Resiniferatoxin | CHEMBL1644422)Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Br)c1N |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15| Show InChI InChI=1S/C37H40BrNO8/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(40)15-24-13-27(38)31(39)28(14-24)43-5/h6-14,22,26,29,33,42H,1,15-19,39H2,2-5H3/t22-,26+,29-,33?,34-,35+,36?,37?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay |
Bioorg Med Chem Lett 21: 299-302 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50305285
(CHEMBL595262 | [(1R,2R,6R,10S,11R,13S,15R,17R)-13-...)Show SMILES COc1cc(OC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(I)c1O |r,t:10,35,TLB:16:15:12:25.26.24,THB:23:15:12:25.26.24| Show InChI InChI=1S/C36H37IO10/c1-19(2)34-15-21(4)36-25(31(34)45-35(46-34,47-36)17-22-9-7-6-8-10-22)12-23(16-33(41)28(36)11-20(3)30(33)39)18-43-32(40)44-24-13-26(37)29(38)27(14-24)42-5/h6-14,21,25,28,31,38,41H,1,15-18H2,2-5H3/t21-,25+,28-,31-,33-,34-,35-,36-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated Ca2+ uptake |
Eur J Med Chem 68: 233-43 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50440399
(CHEMBL2425544)Show SMILES COc1cc(OC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(F)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26| Show InChI InChI=1S/C36H38FNO9/c1-19(2)34-15-21(4)36-25(31(34)45-35(46-34,47-36)17-22-9-7-6-8-10-22)12-23(16-33(41)28(36)11-20(3)30(33)39)18-43-32(40)44-24-13-26(37)29(38)27(14-24)42-5/h6-14,21,25,28,31,41H,1,15-18,38H2,2-5H3/t21-,25+,28-,31-,33-,34-,35-,36-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells |
Eur J Med Chem 68: 233-43 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50440396
(CHEMBL2425545)Show SMILES COc1cc(OC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Cl)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26| Show InChI InChI=1S/C36H38ClNO9/c1-19(2)34-15-21(4)36-25(31(34)45-35(46-34,47-36)17-22-9-7-6-8-10-22)12-23(16-33(41)28(36)11-20(3)30(33)39)18-43-32(40)44-24-13-26(37)29(38)27(14-24)42-5/h6-14,21,25,28,31,41H,1,15-18,38H2,2-5H3/t21-,25+,28-,31-,33-,34-,35-,36-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells |
Eur J Med Chem 68: 233-43 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50440395
(CHEMBL2425546)Show SMILES COc1cc(OC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Br)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26| Show InChI InChI=1S/C36H38BrNO9/c1-19(2)34-15-21(4)36-25(31(34)45-35(46-34,47-36)17-22-9-7-6-8-10-22)12-23(16-33(41)28(36)11-20(3)30(33)39)18-43-32(40)44-24-13-26(37)29(38)27(14-24)42-5/h6-14,21,25,28,31,41H,1,15-18,38H2,2-5H3/t21-,25+,28-,31-,33-,34-,35-,36-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated Ca2+ uptake |
Eur J Med Chem 68: 233-43 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50440394
(CHEMBL2425543)Show SMILES COc1cc(OC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(I)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26| Show InChI InChI=1S/C36H38INO9/c1-19(2)34-15-21(4)36-25(31(34)45-35(46-34,47-36)17-22-9-7-6-8-10-22)12-23(16-33(41)28(36)11-20(3)30(33)39)18-43-32(40)44-24-13-26(37)29(38)27(14-24)42-5/h6-14,21,25,28,31,41H,1,15-18,38H2,2-5H3/t21-,25+,28-,31-,33-,34-,35-,36-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated Ca2+ uptake |
Eur J Med Chem 68: 233-43 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50330657
(2-(4-tert-Butylbenzyl)-3-[2-(4-hydroxy-3-iodo-5-me...)Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)cc(I)c1O Show InChI InChI=1S/C28H38INO5/c1-27(2,3)21-10-8-18(9-11-21)12-20(17-35-26(33)28(4,5)6)16-30-24(31)15-19-13-22(29)25(32)23(14-19)34-7/h8-11,13-14,20,32H,12,15-17H2,1-7H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium uptake |
Bioorg Med Chem 18: 8092-105 (2010)
Article DOI: 10.1016/j.bmc.2010.09.001
BindingDB Entry DOI: 10.7270/Q2Q81D98 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50333933
(5-bromo-4-amino Resiniferatoxin | CHEMBL1644422)Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Br)c1N |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15| Show InChI InChI=1S/C37H40BrNO8/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(40)15-24-13-27(38)31(39)28(14-24)43-5/h6-14,22,26,29,33,42H,1,15-19,39H2,2-5H3/t22-,26+,29-,33?,34-,35+,36?,37?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as response to capsaicin-stimulated 45Ca2+ uptake |
Bioorg Med Chem Lett 21: 299-302 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50440394
(CHEMBL2425543)Show SMILES COc1cc(OC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(I)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26| Show InChI InChI=1S/C36H38INO9/c1-19(2)34-15-21(4)36-25(31(34)45-35(46-34,47-36)17-22-9-7-6-8-10-22)12-23(16-33(41)28(36)11-20(3)30(33)39)18-43-32(40)44-24-13-26(37)29(38)27(14-24)42-5/h6-14,21,25,28,31,41H,1,15-18,38H2,2-5H3/t21-,25+,28-,31-,33-,34-,35-,36-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells |
Eur J Med Chem 68: 233-43 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50456029
(CHEMBL2028996)Show SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#5](-[#8])-[#8] |r| Show InChI InChI=1S/C12H24BN5O4/c1-8(19)18-7-3-4-9(18)11(20)17-10(13(21)22)5-2-6-16-12(14)15/h9-10,21-22H,2-7H2,1H3,(H,17,20)(H4,14,15,16)/t9-,10?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Du Pont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition constant for binding with thrombin was determined |
J Med Chem 36: 1831-8 (1993)
BindingDB Entry DOI: 10.7270/Q21G0KB8 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50330677
(2-(4-tert-Butylbenzyl)-3-[2-(4-amino-3-bromo-5-met...)Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)cc(Br)c1N Show InChI InChI=1S/C28H39BrN2O4/c1-27(2,3)21-10-8-18(9-11-21)12-20(17-35-26(33)28(4,5)6)16-31-24(32)15-19-13-22(29)25(30)23(14-19)34-7/h8-11,13-14,20H,12,15-17,30H2,1-7H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium uptake |
Bioorg Med Chem 18: 8092-105 (2010)
Article DOI: 10.1016/j.bmc.2010.09.001
BindingDB Entry DOI: 10.7270/Q2Q81D98 |
More data for this
Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50041978
(CHEMBL3134157)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de San Luis
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged SphK1 using [3H]-sphingosine as substrate after 30 mins by scintillation counting method |
Eur J Med Chem 139: 461-481 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.017
BindingDB Entry DOI: 10.7270/Q2930WP5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50330680
(2-(4-tert-Butylbenzyl)-3-[2-(4-amino-3,5-dichlorop...)Show SMILES CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Cl)c(N)c(Cl)c1)Cc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C27H36Cl2N2O3/c1-26(2,3)20-9-7-17(8-10-20)11-19(16-34-25(33)27(4,5)6)15-31-23(32)14-18-12-21(28)24(30)22(29)13-18/h7-10,12-13,19H,11,14-16,30H2,1-6H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium uptake |
Bioorg Med Chem 18: 8092-105 (2010)
Article DOI: 10.1016/j.bmc.2010.09.001
BindingDB Entry DOI: 10.7270/Q2Q81D98 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50330676
(2-(4-tert-Butylbenzyl)-3-[2-(4-amino-3-chloro-5-me...)Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)cc(Cl)c1N Show InChI InChI=1S/C28H39ClN2O4/c1-27(2,3)21-10-8-18(9-11-21)12-20(17-35-26(33)28(4,5)6)16-31-24(32)15-19-13-22(29)25(30)23(14-19)34-7/h8-11,13-14,20H,12,15-17,30H2,1-7H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.09 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium uptake |
Bioorg Med Chem 18: 8092-105 (2010)
Article DOI: 10.1016/j.bmc.2010.09.001
BindingDB Entry DOI: 10.7270/Q2Q81D98 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50440396
(CHEMBL2425545)Show SMILES COc1cc(OC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Cl)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26| Show InChI InChI=1S/C36H38ClNO9/c1-19(2)34-15-21(4)36-25(31(34)45-35(46-34,47-36)17-22-9-7-6-8-10-22)12-23(16-33(41)28(36)11-20(3)30(33)39)18-43-32(40)44-24-13-26(37)29(38)27(14-24)42-5/h6-14,21,25,28,31,41H,1,15-18,38H2,2-5H3/t21-,25+,28-,31-,33-,34-,35-,36-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated Ca2+ uptake |
Eur J Med Chem 68: 233-43 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50330672
(2-(4-tert-Butylbenzyl)-3-[2-(3,5-dichloro-4-hydrox...)Show SMILES CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Cl)c(O)c(Cl)c1)Cc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C27H35Cl2NO4/c1-26(2,3)20-9-7-17(8-10-20)11-19(16-34-25(33)27(4,5)6)15-30-23(31)14-18-12-21(28)24(32)22(29)13-18/h7-10,12-13,19,32H,11,14-16H2,1-6H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium uptake |
Bioorg Med Chem 18: 8092-105 (2010)
Article DOI: 10.1016/j.bmc.2010.09.001
BindingDB Entry DOI: 10.7270/Q2Q81D98 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50456030
(CHEMBL2028995)Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#5](-[#8])-[#8] |r| Show InChI InChI=1S/C18H29BN6O5/c1-12(26)24-14(10-13-6-3-2-4-7-13)17(28)23-11-16(27)25-15(19(29)30)8-5-9-22-18(20)21/h2-4,6-7,14-15,29-30H,5,8-11H2,1H3,(H,23,28)(H,24,26)(H,25,27)(H4,20,21,22)/t14-,15?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Du Pont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition constant for binding with thrombin was determined |
J Med Chem 36: 1831-8 (1993)
BindingDB Entry DOI: 10.7270/Q21G0KB8 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50330681
(2-(4-tert-Butylbenzyl)-3-[2-(4-amino-3,5-dibromoph...)Show SMILES CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Br)c(N)c(Br)c1)Cc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C27H36Br2N2O3/c1-26(2,3)20-9-7-17(8-10-20)11-19(16-34-25(33)27(4,5)6)15-31-23(32)14-18-12-21(28)24(30)22(29)13-18/h7-10,12-13,19H,11,14-16,30H2,1-6H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium uptake |
Bioorg Med Chem 18: 8092-105 (2010)
Article DOI: 10.1016/j.bmc.2010.09.001
BindingDB Entry DOI: 10.7270/Q2Q81D98 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50440397
(CHEMBL2425549)Show SMILES COc1cc(OC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Br)c1O |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26| Show InChI InChI=1S/C36H37BrO10/c1-19(2)34-15-21(4)36-25(31(34)45-35(46-34,47-36)17-22-9-7-6-8-10-22)12-23(16-33(41)28(36)11-20(3)30(33)39)18-43-32(40)44-24-13-26(37)29(38)27(14-24)42-5/h6-14,21,25,28,31,38,41H,1,15-18H2,2-5H3/t21-,25+,28-,31-,33-,34-,35-,36-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated Ca2+ uptake |
Eur J Med Chem 68: 233-43 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50305278
(CHEMBL595069 | iodoresiniferatoxin)Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(I)c1O |r,t:10,35,TLB:16:15:12:25.26.24,THB:23:15:12:25.26.24| Show InChI InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33-,34-,35-,36-,37-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated Ca2+ uptake |
Eur J Med Chem 68: 233-43 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50333927
(CHEMBL1644416 | [(2R,6R,10S,15S,17R)-13-benzyl-6-h...)Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Br)c1O |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15| Show InChI InChI=1S/C37H39BrO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33?,34-,35+,36?,37?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as response to capsaicin-stimulated 45Ca2+ uptake |
Bioorg Med Chem Lett 21: 299-302 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM349547
(US10207991, Ex. Cpd. No. 62 | US10611728, Example ...)Show SMILES CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O Show InChI InChI=1S/C24H33NO4S/c1-23(2,3)29-22-13-17(7-10-21(22)26)11-12-24(4,5)25-15-18-8-9-20(30(6,27)28)14-19(18)16-25/h7-10,13-14,26H,11-12,15-16H2,1-6H3 | UniProtKB/SwissProt
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| Article
PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Sigma 2-receptor (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50330656
(2-(4-tert-Butylbenzyl)-3-[2-(3-bromo-4-hydroxy-5-m...)Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)cc(Br)c1O Show InChI InChI=1S/C28H38BrNO5/c1-27(2,3)21-10-8-18(9-11-21)12-20(17-35-26(33)28(4,5)6)16-30-24(31)15-19-13-22(29)25(32)23(14-19)34-7/h8-11,13-14,20,32H,12,15-17H2,1-7H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium uptake |
Bioorg Med Chem 18: 8092-105 (2010)
Article DOI: 10.1016/j.bmc.2010.09.001
BindingDB Entry DOI: 10.7270/Q2Q81D98 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50577481
(CHEMBL4865307) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Sigma 2-receptor (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501345
(CHEMBL3958857)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H21ClN6O12P2/c15-3-7(22)17-1-2-30-34(26,27)33-35(28,29)31-4-6-9(23)10(24)13(32-6)21-5-18-8-11(21)19-14(16)20-12(8)25/h5-6,9-10,13,23-24H,1-4H2,(H,17,22)(H,26,27)(H,28,29)(H3,16,19,20,25)/t6-,9-,10-,13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50330672
(2-(4-tert-Butylbenzyl)-3-[2-(3,5-dichloro-4-hydrox...)Show SMILES CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Cl)c(O)c(Cl)c1)Cc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C27H35Cl2NO4/c1-26(2,3)20-9-7-17(8-10-20)11-19(16-34-25(33)27(4,5)6)15-30-23(31)14-18-12-21(28)24(32)22(29)13-18/h7-10,12-13,19,32H,11,14-16H2,1-6H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells |
Bioorg Med Chem 18: 8092-105 (2010)
Article DOI: 10.1016/j.bmc.2010.09.001
BindingDB Entry DOI: 10.7270/Q2Q81D98 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50330656
(2-(4-tert-Butylbenzyl)-3-[2-(3-bromo-4-hydroxy-5-m...)Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)cc(Br)c1O Show InChI InChI=1S/C28H38BrNO5/c1-27(2,3)21-10-8-18(9-11-21)12-20(17-35-26(33)28(4,5)6)16-30-24(31)15-19-13-22(29)25(32)23(14-19)34-7/h8-11,13-14,20,32H,12,15-17H2,1-7H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells |
Bioorg Med Chem 18: 8092-105 (2010)
Article DOI: 10.1016/j.bmc.2010.09.001
BindingDB Entry DOI: 10.7270/Q2Q81D98 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50330680
(2-(4-tert-Butylbenzyl)-3-[2-(4-amino-3,5-dichlorop...)Show SMILES CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Cl)c(N)c(Cl)c1)Cc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C27H36Cl2N2O3/c1-26(2,3)20-9-7-17(8-10-20)11-19(16-34-25(33)27(4,5)6)15-31-23(32)14-18-12-21(28)24(30)22(29)13-18/h7-10,12-13,19H,11,14-16,30H2,1-6H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells |
Bioorg Med Chem 18: 8092-105 (2010)
Article DOI: 10.1016/j.bmc.2010.09.001
BindingDB Entry DOI: 10.7270/Q2Q81D98 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50330673
(2-(4-tert-Butylbenzyl)-3-[2-(3,5-dibromo-4-hydroxy...)Show SMILES CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Br)c(O)c(Br)c1)Cc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C27H35Br2NO4/c1-26(2,3)20-9-7-17(8-10-20)11-19(16-34-25(33)27(4,5)6)15-30-23(31)14-18-12-21(28)24(32)22(29)13-18/h7-10,12-13,19,32H,11,14-16H2,1-6H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium uptake |
Bioorg Med Chem 18: 8092-105 (2010)
Article DOI: 10.1016/j.bmc.2010.09.001
BindingDB Entry DOI: 10.7270/Q2Q81D98 |
More data for this
Ligand-Target Pair | |
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