Found 2182 hits with Last Name = 'kim' and Initial = 'yh' 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 |
|---|
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50052442
((4-Hydroxy-3-methoxy-phenyl)-acetic acid (2R,3S,3a...)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)ccc1O |r,t:10,35,THB:23:15:26.25.24:12| 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 
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
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
In vitro binding to Rat Vanilloid receptor 1 (VR1) expressing CHO cells compared to capsacin |
J Med Chem 46: 3116-26 (2003)
Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50528793
(CHEMBL4471708)Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1cccc2ccc(O)cc12)C(F)(F)F Show InChI InChI=1S/C33H35F3N4O2/c1-39(2)32(21-23-7-4-3-5-8-23)15-17-40(18-16-32)30-19-26(33(34,35)36)13-11-25(30)22-37-31(42)38-29-10-6-9-24-12-14-27(41)20-28(24)29/h3-14,19-20,41H,15-18,21-22H2,1-2H3,(H2,37,38,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.460 | 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 recombinant human TRPV1 expressed in CHO cells incubated for 60 mins by liquid scintillation counter |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111634
BindingDB Entry DOI: 10.7270/Q2765JR7 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50528804
(CHEMBL4553702)Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1cccc2cnccc12)C(F)(F)F Show InChI InChI=1S/C32H34F3N5O/c1-39(2)31(20-23-7-4-3-5-8-23)14-17-40(18-15-31)29-19-26(32(33,34)35)12-11-25(29)22-37-30(41)38-28-10-6-9-24-21-36-16-13-27(24)28/h3-13,16,19,21H,14-15,17-18,20,22H2,1-2H3,(H2,37,38,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.670 | 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 recombinant human TRPV1 expressed in CHO cells incubated for 60 mins by liquid scintillation counter |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111634
BindingDB Entry DOI: 10.7270/Q2765JR7 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50528797
(CHEMBL4438643)Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1cccc2CCC(O)Cc12)C(F)(F)F Show InChI InChI=1S/C33H39F3N4O2/c1-39(2)32(21-23-7-4-3-5-8-23)15-17-40(18-16-32)30-19-26(33(34,35)36)13-11-25(30)22-37-31(42)38-29-10-6-9-24-12-14-27(41)20-28(24)29/h3-11,13,19,27,41H,12,14-18,20-22H2,1-2H3,(H2,37,38,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.950 | 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 recombinant human TRPV1 expressed in CHO cells incubated for 60 mins by liquid scintillation counter |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111634
BindingDB Entry DOI: 10.7270/Q2765JR7 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50184391
((R,Z)-2-(2-(hydroxymethyl)-4-(3-isobutyl-5-methylh...)Show SMILES CC(C)CC(C\C=C1\C[C@@](CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine |
J Med Chem 49: 2028-36 (2006)
Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50528802
(CHEMBL4562769)Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1cccc2[nH]c(=O)ccc12)C(F)(F)F Show InChI InChI=1S/C32H34F3N5O2/c1-39(2)31(20-22-7-4-3-5-8-22)15-17-40(18-16-31)28-19-24(32(33,34)35)12-11-23(28)21-36-30(42)38-27-10-6-9-26-25(27)13-14-29(41)37-26/h3-14,19H,15-18,20-21H2,1-2H3,(H,37,41)(H2,36,38,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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 recombinant human TRPV1 expressed in CHO cells incubated for 60 mins by liquid scintillation counter |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111634
BindingDB Entry DOI: 10.7270/Q2765JR7 |
More data for this
Ligand-Target Pair | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50244866
(CHEMBL511820 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-ni...)Show SMILES CN(C)c1ccccc1C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1 Show InChI InChI=1S/C22H22N2O7/c1-23(2)19-6-4-3-5-18(19)21(27)30-14-22(13-25)12-16(20(26)31-22)11-15-7-9-17(10-8-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b16-11+ | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Binding affinity to RasGRP3 (unknown origin) |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244416
(CHEMBL527875 | rac-(E)-{4-[(3-Bromo-4-fluorophenyl...)Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Br)c2)C(=O)O1 Show InChI InChI=1S/C21H26BrFO5/c1-3-5-6-15(4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.07 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244416
(CHEMBL527875 | rac-(E)-{4-[(3-Bromo-4-fluorophenyl...)Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Br)c2)C(=O)O1 Show InChI InChI=1S/C21H26BrFO5/c1-3-5-6-15(4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.07 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50245091
(CHEMBL519398 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-ni...)Show SMILES OCC1(COC(=O)c2ccc(cc2)[N+]([O-])=O)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1 Show InChI InChI=1S/C20H16N2O9/c23-11-20(12-30-18(24)14-3-7-17(8-4-14)22(28)29)10-15(19(25)31-20)9-13-1-5-16(6-2-13)21(26)27/h1-9,23H,10-12H2/b15-9+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Binding affinity to RasGRP3 (unknown origin) |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50244865
(CHEMBL471153 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-ni...)Show SMILES CN(C)c1cccc(c1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1 Show InChI InChI=1S/C22H22N2O7/c1-23(2)19-5-3-4-16(11-19)20(26)30-14-22(13-25)12-17(21(27)31-22)10-15-6-8-18(9-7-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-10+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Binding affinity to RasGRP3 (unknown origin) |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244693
(CHEMBL516638 | rac-(E)-{4-[(3-Chloro-4-fluoropheny...)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Cl)c2)C(=O)O1 Show InChI InChI=1S/C21H26ClFO5/c1-3-5-15(6-4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244693
(CHEMBL516638 | rac-(E)-{4-[(3-Chloro-4-fluoropheny...)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Cl)c2)C(=O)O1 Show InChI InChI=1S/C21H26ClFO5/c1-3-5-15(6-4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244961
(CHEMBL472520 | rac-(E/Z)-(4-heptylidene-2-(hydroxy...)Show SMILES CCCCCC\C=C1\CC(CO)(COC(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C)OC1=O Show InChI InChI=1S/C29H44O5/c1-8-9-10-11-12-13-22-16-29(17-30,34-27(22)31)18-33-28(32)26-24(20(4)5)14-23(19(2)3)15-25(26)21(6)7/h13-15,19-21,30H,8-12,16-18H2,1-7H3/b22-13- | 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 |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244961
(CHEMBL472520 | rac-(E/Z)-(4-heptylidene-2-(hydroxy...)Show SMILES CCCCCC\C=C1\CC(CO)(COC(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C)OC1=O Show InChI InChI=1S/C29H44O5/c1-8-9-10-11-12-13-22-16-29(17-30,34-27(22)31)18-33-28(32)26-24(20(4)5)14-23(19(2)3)15-25(26)21(6)7/h13-15,19-21,30H,8-12,16-18H2,1-7H3/b22-13- | 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 |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244413
(CHEMBL488498 | rac-(E)-{4-[(3-Bromo-4-fluorophenyl...)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Br)c2)C(=O)O1 Show InChI InChI=1S/C21H26BrFO5/c1-3-5-15(6-4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244413
(CHEMBL488498 | rac-(E)-{4-[(3-Bromo-4-fluorophenyl...)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Br)c2)C(=O)O1 Show InChI InChI=1S/C21H26BrFO5/c1-3-5-15(6-4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50107112
((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...)Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine |
J Med Chem 49: 2028-36 (2006)
Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244414
(CHEMBL488500 | rac-(E)-{4-[(4-Chlorophenyl)methyle...)Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1 Show InChI InChI=1S/C21H27ClO5/c1-3-5-6-16(4-2)19(24)26-14-21(13-23)12-17(20(25)27-21)11-15-7-9-18(22)10-8-15/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50539307
(CHEMBL4649748)Show SMILES CC(C)(C)c1cc(CNC(=O)Cc2ccc3CCCc3c2)n(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C25H28ClN3O/c1-25(2,3)23-15-22(29(28-23)21-9-5-8-20(26)14-21)16-27-24(30)13-17-10-11-18-6-4-7-19(18)12-17/h5,8-12,14-15H,4,6-7,13,16H2,1-3H3,(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.90 | 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 capsaicin-induced human TRPV1 expressed in CHOK1 cells by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126838
BindingDB Entry DOI: 10.7270/Q2VD730D |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244414
(CHEMBL488500 | rac-(E)-{4-[(4-Chlorophenyl)methyle...)Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1 Show InChI InChI=1S/C21H27ClO5/c1-3-5-6-16(4-2)19(24)26-14-21(13-23)12-17(20(25)27-21)11-15-7-9-18(22)10-8-15/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244648
(CHEMBL453598 | rac-(E)-(2-(Hydroxymethyl)-5-oxo-4-...)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)C(F)(F)F)C(=O)O1 Show InChI InChI=1S/C22H27F3O5/c1-3-5-16(6-4-2)19(27)29-14-21(13-26)12-17(20(28)30-21)11-15-7-9-18(10-8-15)22(23,24)25/h7-11,16,26H,3-6,12-14H2,1-2H3/b17-11+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244648
(CHEMBL453598 | rac-(E)-(2-(Hydroxymethyl)-5-oxo-4-...)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)C(F)(F)F)C(=O)O1 Show InChI InChI=1S/C22H27F3O5/c1-3-5-16(6-4-2)19(27)29-14-21(13-26)12-17(20(28)30-21)11-15-7-9-18(10-8-15)22(23,24)25/h7-11,16,26H,3-6,12-14H2,1-2H3/b17-11+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50245049
(CHEMBL488706 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-ni...)Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1 Show InChI InChI=1S/C21H27NO7/c1-3-5-6-16(4-2)19(24)28-14-21(13-23)12-17(20(25)29-21)11-15-7-9-18(10-8-15)22(26)27/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244740
(CHEMBL461372 | rac-(E)-{4-[(3-Chloro-4-fluoropheny...)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)c(F)c2)C(=O)O1 Show InChI InChI=1S/C21H26ClFO5/c1-3-5-15(6-4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-17(22)18(23)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244740
(CHEMBL461372 | rac-(E)-{4-[(3-Chloro-4-fluoropheny...)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)c(F)c2)C(=O)O1 Show InChI InChI=1S/C21H26ClFO5/c1-3-5-15(6-4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-17(22)18(23)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20330
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O Show InChI InChI=1S/C21H29N3O3S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)23-14-16-8-11-18(19(12-16)27-4)24-29(5,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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 for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20330
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O Show InChI InChI=1S/C21H29N3O3S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)23-14-16-8-11-18(19(12-16)27-4)24-29(5,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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 towards rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4143-50 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244908
(CHEMBL511301 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-me...)Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)c3c(C)cc(C)cc3C)OC2=O)cc1 Show InChI InChI=1S/C24H26O6/c1-15-9-16(2)21(17(3)10-15)23(27)29-14-24(13-25)12-19(22(26)30-24)11-18-5-7-20(28-4)8-6-18/h5-11,25H,12-14H2,1-4H3/b19-11+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244908
(CHEMBL511301 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-me...)Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)c3c(C)cc(C)cc3C)OC2=O)cc1 Show InChI InChI=1S/C24H26O6/c1-15-9-16(2)21(17(3)10-15)23(27)29-14-24(13-25)12-19(22(26)30-24)11-18-5-7-20(28-4)8-6-18/h5-11,25H,12-14H2,1-4H3/b19-11+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50528800
(CHEMBL4586277)Show SMILES CC(C(=O)NCc1ccc(cc1N1CCC(Cc2ccccc2)(CC1)N(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C32H38F4N4O3S/c1-22(24-11-13-28(27(33)18-24)38-44(4,42)43)30(41)37-21-25-10-12-26(32(34,35)36)19-29(25)40-16-14-31(15-17-40,39(2)3)20-23-8-6-5-7-9-23/h5-13,18-19,22,38H,14-17,20-21H2,1-4H3,(H,37,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.80 | 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 recombinant human TRPV1 expressed in CHO cells incubated for 60 mins by liquid scintillation counter |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111634
BindingDB Entry DOI: 10.7270/Q2765JR7 |
More data for this
Ligand-Target Pair | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50244482
((4-(4-nitrobenzylidene)-2-(hydroxymethyl)-5-oxo-te...)Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1 Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-9-5-16(6-10-18)20(26)30-14-22(13-25)12-17(21(27)31-22)11-15-3-7-19(8-4-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-11+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Binding affinity to RasGRP3 (unknown origin) |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50184395
(5-hexanoyloxymethyl-5-hydroxymethyl-3-[(Z)-3-isobu...)Show SMILES CCCCCC(=O)OCC1(CO)C\C(=C\CC(CC(C)C)CC(C)C)C(=O)O1 Show InChI InChI=1S/C23H40O5/c1-6-7-8-9-21(25)27-16-23(15-24)14-20(22(26)28-23)11-10-19(12-17(2)3)13-18(4)5/h11,17-19,24H,6-10,12-16H2,1-5H3/b20-11- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine |
J Med Chem 49: 2028-36 (2006)
Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1 |
More data for this
Ligand-Target Pair | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50244915
(CHEMBL472002 | rac-(E)-{2-(Hydroxymethyl)-4-[(3-ni...)Show SMILES CN(C)c1ccccc1C(=O)OCC1(CO)C\C(=C/c2cccc(c2)[N+]([O-])=O)C(=O)O1 Show InChI InChI=1S/C22H22N2O7/c1-23(2)19-9-4-3-8-18(19)21(27)30-14-22(13-25)12-16(20(26)31-22)10-15-6-5-7-17(11-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b16-10+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Binding affinity to RasGRP3 (unknown origin) |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50539315
(CHEMBL4648896)Show SMILES CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc2CCCc2c1 Show InChI InChI=1S/C23H21ClF3N3O/c1-14(16-9-8-15-4-2-5-17(15)10-16)22(31)28-13-20-12-21(23(25,26)27)29-30(20)19-7-3-6-18(24)11-19/h3,6-12,14H,2,4-5,13H2,1H3,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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 capsaicin-induced human TRPV1 expressed in CHOK1 cells by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126838
BindingDB Entry DOI: 10.7270/Q2VD730D |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50107120
((E) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...)Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine |
J Med Chem 49: 2028-36 (2006)
Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50107118
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C26H46O5/c1-17(2)11-21(12-18(3)4)9-10-22-14-26(15-27,31-25(22)29)16-30-24(28)13-23(19(5)6)20(7)8/h10,17-21,23,27H,9,11-16H2,1-8H3/b22-10+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine |
J Med Chem 49: 2028-36 (2006)
Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1 |
More data for this
Ligand-Target Pair | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50244643
(CHEMBL452307 | rac-(E)-(4-{[4-(Dimethylamino)pheny...)Show SMILES CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(cc3)N(C)C)OC2=O)cc1 Show InChI InChI=1S/C24H28N2O5/c1-25(2)20-9-5-17(6-10-20)13-19-14-24(15-27,31-23(19)29)16-30-22(28)18-7-11-21(12-8-18)26(3)4/h5-13,27H,14-16H2,1-4H3/b19-13+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Binding affinity to RasGRP3 (unknown origin) |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244863
(CHEMBL472362 | rac-(E)-{4-[(4-Chloro-3-fluoropheny...)Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)c(F)c2)C(=O)O1 Show InChI InChI=1S/C21H26ClFO5/c1-3-5-6-15(4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-17(22)18(23)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50184385
(5-hydroxymethyl-3-[(Z)-3-isobutyl-5-methylhexylide...)Show SMILES CCCCCCCC(=O)OCC1(CO)C\C(=C\CC(CC(C)C)CC(C)C)C(=O)O1 Show InChI InChI=1S/C25H44O5/c1-6-7-8-9-10-11-23(27)29-18-25(17-26)16-22(24(28)30-25)13-12-21(14-19(2)3)15-20(4)5/h13,19-21,26H,6-12,14-18H2,1-5H3/b22-13- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine |
J Med Chem 49: 2028-36 (2006)
Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50539303
(CHEMBL4640107)Show SMILES FC(F)(F)c1cc(CNC(=O)Cc2ccc3CCCc3c2)n(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C22H19ClF3N3O/c23-17-5-2-6-18(11-17)29-19(12-20(28-29)22(24,25)26)13-27-21(30)10-14-7-8-15-3-1-4-16(15)9-14/h2,5-9,11-12H,1,3-4,10,13H2,(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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 capsaicin-induced human TRPV1 expressed in CHOK1 cells by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126838
BindingDB Entry DOI: 10.7270/Q2VD730D |
More data for this
Ligand-Target Pair | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50244914
(CHEMBL472001 | rac-(E)-{2-(Hydroxymethyl)-4-[(3-ni...)Show SMILES CN(C)c1cccc(c1)C(=O)OCC1(CO)C\C(=C/c2cccc(c2)[N+]([O-])=O)C(=O)O1 Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-7-4-6-16(11-18)20(26)30-14-22(13-25)12-17(21(27)31-22)9-15-5-3-8-19(10-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-9+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Binding affinity to RasGRP3 (unknown origin) |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244690
(CHEMBL358095 | rac-(E)-{4-[(4-Fluorophenyl)methyle...)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)cc2)C(=O)O1 Show InChI InChI=1S/C21H27FO5/c1-3-5-16(6-4-2)19(24)26-14-21(13-23)12-17(20(25)27-21)11-15-7-9-18(22)10-8-15/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(MOUSE) | BDBM50244690
(CHEMBL358095 | rac-(E)-{4-[(4-Fluorophenyl)methyle...)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)cc2)C(=O)O1 Show InChI InChI=1S/C21H27FO5/c1-3-5-16(6-4-2)19(24)26-14-21(13-23)12-17(20(25)27-21)11-15-7-9-18(22)10-8-15/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting |
J Med Chem 51: 5198-220 (2008)
Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50539336
(CHEMBL4648285)Show SMILES CC(C(=O)NCc1cc(nn1-c1cccc(c1)C(F)(F)F)C(F)(F)F)c1ccc2OCOc2c1 Show InChI InChI=1S/C22H17F6N3O3/c1-12(13-5-6-17-18(7-13)34-11-33-17)20(32)29-10-16-9-19(22(26,27)28)30-31(16)15-4-2-3-14(8-15)21(23,24)25/h2-9,12H,10-11H2,1H3,(H,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.80 | 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 capsaicin-induced human TRPV1 expressed in CHOK1 cells by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126838
BindingDB Entry DOI: 10.7270/Q2VD730D |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50194976
((S)-2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...)Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@]2(CCCO2)C(O)=O)cn1)-c1ccccc1 Show InChI InChI=1S/C23H24N2O5/c1-16-19(25-21(30-16)18-6-3-2-4-7-18)10-13-28-20-9-8-17(15-24-20)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global R&D
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay |
Bioorg Med Chem Lett 16: 6120-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50184380
(5-hydroxymethyl-3-[(E)-3-isobutyl-5-methylhexylide...)Show SMILES CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(CC(C)C)CC(C)C)C(=O)O1 Show InChI InChI=1S/C25H44O5/c1-6-7-8-9-10-11-23(27)29-18-25(17-26)16-22(24(28)30-25)13-12-21(14-19(2)3)15-20(4)5/h13,19-21,26H,6-12,14-18H2,1-5H3/b22-13+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine |
J Med Chem 49: 2028-36 (2006)
Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DAMGO from full length human MOR expressed in chem5 cells incubated for 60 mins by liquid scintillation counter |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111634
BindingDB Entry DOI: 10.7270/Q2765JR7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50184382
(5-hexanoyloxymethyl-5-hydroxymethyl-3-[(E)-3-isobu...)Show SMILES CCCCCC(=O)OCC1(CO)C\C(=C/CC(CC(C)C)CC(C)C)C(=O)O1 Show InChI InChI=1S/C23H40O5/c1-6-7-8-9-21(25)27-16-23(15-24)14-20(22(26)28-23)11-10-19(12-17(2)3)13-18(4)5/h11,17-19,24H,6-10,12-16H2,1-5H3/b20-11+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine |
J Med Chem 49: 2028-36 (2006)
Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50196343
(2,2-Dimethyl-propionic acid 2-(4-tert-butyl-benzyl...)Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)ccc1O Show InChI InChI=1S/C28H40N2O4S/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-34-25(32)28(4,5)6)17-30-26(35)29-16-20-10-13-23(31)24(15-20)33-7/h8-13,15,21,31H,14,16-18H2,1-7H3,(H2,29,30,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement. |
J Med Chem 46: 3116-26 (2003)
Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551 |
More data for this
Ligand-Target Pair | |
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