Found 1314 hits with Last Name = 'lewin' and Initial = 'ne' 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 |
|---|
Protein kinase C delta type
(Mus musculus) | BDBM50133235
(CHEMBL132720 | Docosanedioic acid ((S)-5-hydroxyme...)Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O Show InChI InChI=1S/C52H84N6O6/c1-37(2)49-51(63)56-44(36-60)33-40-32-41(29-30-45(40)57(49)5)53-47(61)25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-48(62)54-42-28-27-39-31-43(35-59)55-52(64)50(38(3)4)58(6)46(39)34-42/h27-30,32,34,37-38,43-44,49-50,59-60H,7-26,31,33,35-36H2,1-6H3,(H,53,61)(H,54,62)(H,55,64)(H,56,63)/t43-,44-,49-,50-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [... |
J Med Chem 46: 4196-204 (2003)
Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM86434
(12-Deoxyphorbol 13-phenylacetate | CAS_105100 | NS...)Show SMILES CC1CC2(OC(=O)Cc3ccccc3)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C |t:17,25| Show InChI InChI=1S/C28H34O6/c1-16-10-21-26(32,24(16)31)14-19(15-29)11-20-23-25(3,4)27(23,13-17(2)28(20,21)33)34-22(30)12-18-8-6-5-7-9-18/h5-11,17,20-21,23,29,32-33H,12-15H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 1342-8 (2003)
Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Mus musculus) | BDBM50133238
(CHEMBL334853 | Hexadecanedioic acid ((S)-5-hydroxy...)Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O Show InChI InChI=1S/C46H72N6O6/c1-31(2)43-45(57)50-38(30-54)27-34-26-35(23-24-39(34)51(43)5)47-41(55)19-17-15-13-11-9-7-8-10-12-14-16-18-20-42(56)48-36-22-21-33-25-37(29-53)49-46(58)44(32(3)4)52(6)40(33)28-36/h21-24,26,28,31-32,37-38,43-44,53-54H,7-20,25,27,29-30H2,1-6H3,(H,47,55)(H,48,56)(H,49,58)(H,50,57)/t37-,38-,43-,44-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [... |
J Med Chem 46: 4196-204 (2003)
Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2 |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM92596
(Sapintoxin D)Show SMILES CCCC(=O)O[C@@]12C(C3CC(=O)C[C@@]4(O)C(C=C(C)C4=O)[C@]3(O)[C@@H](C)[C@H]1OC(=O)c1ccccc1NC)C2(C)C |r,t:16| Show InChI InChI=1S/C31H39NO8/c1-7-10-23(34)40-31-24(28(31,4)5)20-14-18(33)15-29(37)22(13-16(2)25(29)35)30(20,38)17(3)26(31)39-27(36)19-11-8-9-12-21(19)32-6/h8-9,11-13,17,20,22,24,26,32,37-38H,7,10,14-15H2,1-6H3/t17-,20?,22?,24?,26+,29+,30-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.140 | -54.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 18 |
National Institutes of Health
| Assay Description
[3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay. |
J Biol Chem 283: 10543-9 (2008)
Article DOI: 10.1074/jbc.M707463200
BindingDB Entry DOI: 10.7270/Q2CF9NQ6 |
More data for this
Ligand-Target Pair | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50244449
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1 Show InChI InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)22(27)29-16-24(15-26)13-18(23(28)30-24)12-19-14-25(3)21-11-7-6-10-20(19)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.180 | 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 from RasGRP3 (unknown origin) expressed in cells |
J Med Chem 51: 5371-86 (2008)
Article DOI: 10.1021/jm800380b
BindingDB Entry DOI: 10.7270/Q21V5DSQ |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Bos taurus (bovine)) | BDBM50057512
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:23,t:12| Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 0.200 | 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
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine |
J Med Chem 44: 1892-904 (2001)
BindingDB Entry DOI: 10.7270/Q2H995WH |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50057512
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:23,t:12| Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding Affinity against protein kinase C alpha |
J Med Chem 43: 921-44 (2000)
BindingDB Entry DOI: 10.7270/Q2RN372X |
More data for this
Ligand-Target Pair | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50244450
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...)Show SMILES CC(C)CC(CC(C)C)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1 Show InChI InChI=1S/C22H31NO5/c1-15(2)9-17(10-16(3)4)20(25)27-14-22(13-24)12-18(21(26)28-22)11-19-7-5-6-8-23-19/h5-8,11,15-17,24H,9-10,12-14H2,1-4H3/b18-11+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | 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 from RasGRP3 (unknown origin) expressed in cells |
J Med Chem 51: 5371-86 (2008)
Article DOI: 10.1021/jm800380b
BindingDB Entry DOI: 10.7270/Q21V5DSQ |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM86429
(CAS_6437389 | NSC_6437389 | Thymeleatoxin | Thymel...)Show SMILES CC1C(OC(=O)C=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,t:33,TLB:1:35:17:14.15,THB:2:14:19.35.36:17,20:19:17:14.15,20:19:1.2.14:36.16.17| Show InChI InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 1342-8 (2003)
Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T |
More data for this
Ligand-Target Pair | |
RAS guanyl-releasing protein 1
(Homo sapiens (Human)) | BDBM50244449
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1 Show InChI InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)22(27)29-16-24(15-26)13-18(23(28)30-24)12-19-14-25(3)21-11-7-6-10-20(19)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Industrial Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu from recombinant RasGRP1 C1 domain (unknown origin) after 10 mins by scintillation counting analysis in presence of phosphat... |
Bioorg Med Chem 22: 3123-40 (2014)
Article DOI: 10.1016/j.bmc.2014.04.024
BindingDB Entry DOI: 10.7270/Q2P270QK |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM86431
(CAS_4179 | Mezerein | NSC_4179)Show SMILES CC1C(OC(=O)C=CC=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,8.7,t:35,TLB:1:37:19:16.17,THB:2:16:21.37.38:19,22:21:19:16.17,22:21:1.2.16:38.18.19| Show InChI InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 1342-8 (2003)
Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM86429
(CAS_6437389 | NSC_6437389 | Thymeleatoxin | Thymel...)Show SMILES CC1C(OC(=O)C=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,t:33,TLB:1:35:17:14.15,THB:2:14:19.35.36:17,20:19:17:14.15,20:19:1.2.14:36.16.17| Show InChI InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 1342-8 (2003)
Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Mus musculus) | BDBM50133236
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [... |
J Med Chem 46: 4196-204 (2003)
Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2 |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Mus musculus) | BDBM50057512
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:23,t:12| Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu from mouse wild type C1b domain of PKCdelta expressed in Escherichia coli |
J Med Chem 50: 3465-81 (2007)
Article DOI: 10.1021/jm0702579
BindingDB Entry DOI: 10.7270/Q2RF5TQ5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50244449
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1 Show InChI InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)22(27)29-16-24(15-26)13-18(23(28)30-24)12-19-14-25(3)21-11-7-6-10-20(19)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Industrial Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu from recombinant human GFP-tagged RasGRP3 expressed in Escherichia coli BL21 after 5 mins by scintillation counting analysis... |
Bioorg Med Chem 22: 3123-40 (2014)
Article DOI: 10.1016/j.bmc.2014.04.024
BindingDB Entry DOI: 10.7270/Q2P270QK |
More data for this
Ligand-Target Pair | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50017890
(CHEMBL3289012)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3n(C)ccc3c2)C(=O)O1 Show InChI InChI=1S/C24H31NO5/c1-4-6-18(7-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)13-17-8-9-21-19(12-17)10-11-25(21)3/h8-13,18,26H,4-7,14-16H2,1-3H3/b20-13+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Industrial Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu from recombinant human GFP-tagged RasGRP3 expressed in Escherichia coli BL21 after 5 mins by scintillation counting analysis... |
Bioorg Med Chem 22: 3123-40 (2014)
Article DOI: 10.1016/j.bmc.2014.04.024
BindingDB Entry DOI: 10.7270/Q2P270QK |
More data for this
Ligand-Target Pair | |
Polycystin-1
(Homo sapiens (Human)) | BDBM86434
(12-Deoxyphorbol 13-phenylacetate | CAS_105100 | NS...)Show SMILES CC1CC2(OC(=O)Cc3ccccc3)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C |t:17,25| Show InChI InChI=1S/C28H34O6/c1-16-10-21-26(32,24(16)31)14-19(15-29)11-20-23-25(3,4)27(23,13-17(2)28(20,21)33)34-22(30)12-18-8-6-5-7-9-18/h5-11,17,20-21,23,29,32-33H,12-15H2,1-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 1342-8 (2003)
Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Mus musculus) | BDBM50080322
(Acetic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-acet...)Show SMILES C[C@@H]1[C@@H](OC(C)=O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |t:14,22| Show InChI InChI=1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26)12(2)23(16,17)30/h7-8,12,16-18,20,25,29-30H,9-10H2,1-6H3/t12-,16+,17-,18?,20-,22-,23-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.351 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description
Binding of Indolactam-V(ILV) to wild-type Protein kinase C delta C1b domain |
J Med Chem 42: 3436-46 (1999)
Article DOI: 10.1021/jm990129n
BindingDB Entry DOI: 10.7270/Q25T3JP5 |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Mus musculus) | BDBM50133238
(CHEMBL334853 | Hexadecanedioic acid ((S)-5-hydroxy...)Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O Show InChI InChI=1S/C46H72N6O6/c1-31(2)43-45(57)50-38(30-54)27-34-26-35(23-24-39(34)51(43)5)47-41(55)19-17-15-13-11-9-7-8-10-12-14-16-18-20-42(56)48-36-22-21-33-25-37(29-53)49-46(58)44(32(3)4)52(6)40(33)28-36/h21-24,26,28,31-32,37-38,43-44,53-54H,7-20,25,27,29-30H2,1-6H3,(H,47,55)(H,48,56)(H,49,58)(H,50,57)/t37-,38-,43-,44-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+] |
J Med Chem 46: 4196-204 (2003)
Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2 |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Mus musculus) | BDBM50133235
(CHEMBL132720 | Docosanedioic acid ((S)-5-hydroxyme...)Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O Show InChI InChI=1S/C52H84N6O6/c1-37(2)49-51(63)56-44(36-60)33-40-32-41(29-30-45(40)57(49)5)53-47(61)25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-48(62)54-42-28-27-39-31-43(35-59)55-52(64)50(38(3)4)58(6)46(39)34-42/h27-30,32,34,37-38,43-44,49-50,59-60H,7-26,31,33,35-36H2,1-6H3,(H,53,61)(H,54,62)(H,55,64)(H,56,63)/t43-,44-,49-,50-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+] |
J Med Chem 46: 4196-204 (2003)
Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2 |
More data for this
Ligand-Target Pair | |
Protein kinase C beta type
(Homo sapiens (Human)) | BDBM50057514
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-5...)Show SMILES CCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc3c[nH]c1c23 Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)/t20-,24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]- PDBu from recombinant PKC beta expressed in baculovirus |
J Med Chem 40: 1316-26 (1997)
Article DOI: 10.1021/jm960875h
BindingDB Entry DOI: 10.7270/Q2319TZS |
More data for this
Ligand-Target Pair | |
RAS guanyl-releasing protein 1
(Homo sapiens (Human)) | BDBM50017890
(CHEMBL3289012)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3n(C)ccc3c2)C(=O)O1 Show InChI InChI=1S/C24H31NO5/c1-4-6-18(7-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)13-17-8-9-21-19(12-17)10-11-25(21)3/h8-13,18,26H,4-7,14-16H2,1-3H3/b20-13+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Industrial Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu from recombinant RasGRP1 C1 domain (unknown origin) after 10 mins by scintillation counting analysis in presence of phosphat... |
Bioorg Med Chem 22: 3123-40 (2014)
Article DOI: 10.1016/j.bmc.2014.04.024
BindingDB Entry DOI: 10.7270/Q2P270QK |
More data for this
Ligand-Target Pair | |
Polycystin-1
(Homo sapiens (Human)) | BDBM86431
(CAS_4179 | Mezerein | NSC_4179)Show SMILES CC1C(OC(=O)C=CC=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,8.7,t:35,TLB:1:37:19:16.17,THB:2:16:21.37.38:19,22:21:19:16.17,22:21:1.2.16:38.18.19| Show InChI InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 1342-8 (2003)
Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T |
More data for this
Ligand-Target Pair | |
Polycystin-1
(Homo sapiens (Human)) | BDBM86432
((-)-Octylindolactam V | CAS_159320 | NSC_159320)Show SMILES CCCCCCCCc1ccc2N(C)C(C(C)C)C(=O)NC(CO)Cc3c[nH]c1c23 Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 1342-8 (2003)
Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T |
More data for this
Ligand-Target Pair | |
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 | |
Protein kinase C delta type
(Mus musculus) | BDBM50133249
(CHEMBL133853 | Dodecanedioic acid [(S)-5-hydroxyme...)Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O Show InChI InChI=1S/C42H64N6O6/c1-27(2)39-41(53)46-34(26-50)23-30-22-31(19-20-35(30)47(39)5)43-37(51)15-13-11-9-7-8-10-12-14-16-38(52)44-32-18-17-29-21-33(25-49)45-42(54)40(28(3)4)48(6)36(29)24-32/h17-20,22,24,27-28,33-34,39-40,49-50H,7-16,21,23,25-26H2,1-6H3,(H,43,51)(H,44,52)(H,45,54)(H,46,53)/t33-,34-,39-,40-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [... |
J Med Chem 46: 4196-204 (2003)
Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50057514
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-5...)Show SMILES CCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc3c[nH]c1c23 Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)/t20-,24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]- PDBu from recombinant PKC alpha expressed in baculovirus |
J Med Chem 40: 1316-26 (1997)
Article DOI: 10.1021/jm960875h
BindingDB Entry DOI: 10.7270/Q2319TZS |
More data for this
Ligand-Target Pair | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50245022
((E)-(2-(hydroxymethyl)-5-oxo-4-(quinolin-3-ylmethy...)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cnc3ccccc3c2)C(=O)O1 Show InChI InChI=1S/C24H29NO5/c1-3-7-18(8-4-2)22(27)29-16-24(15-26)13-20(23(28)30-24)12-17-11-19-9-5-6-10-21(19)25-14-17/h5-6,9-12,14,18,26H,3-4,7-8,13,15-16H2,1-2H3/b20-12+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.520 | 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 from RasGRP3 (unknown origin) expressed in cells |
J Med Chem 51: 5371-86 (2008)
Article DOI: 10.1021/jm800380b
BindingDB Entry DOI: 10.7270/Q21V5DSQ |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM86432
((-)-Octylindolactam V | CAS_159320 | NSC_159320)Show SMILES CCCCCCCCc1ccc2N(C)C(C(C)C)C(=O)NC(CO)Cc3c[nH]c1c23 Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 1342-8 (2003)
Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T |
More data for this
Ligand-Target Pair | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50280750
(CHEMBL4160361)Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1 Show InChI InChI=1S/C18H21ClO5/c1-17(2,3)16(22)23-11-18(10-20)9-13(15(21)24-18)8-12-4-6-14(19)7-5-12/h4-8,20H,9-11H2,1-3H3/b13-8+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.530 | 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]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting |
J Med Chem 61: 6261-6276 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00661
BindingDB Entry DOI: 10.7270/Q28P632D |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50151114
(CHEMBL3770682)Show SMILES C[C@H](C(=O)NCc1ccc(nc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r| Show InChI InChI=1S/C30H28F4N4O5S2/c1-20(22-13-15-26(25(31)17-22)37-44(2,40)41)29(39)35-18-23-14-16-27(30(32,33)34)36-28(23)38(19-21-9-5-3-6-10-21)45(42,43)24-11-7-4-8-12-24/h3-17,20,37H,18-19H2,1-2H3,(H,35,39)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.540 | 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 after 60 mins by scintillation counting analysis |
Bioorg Med Chem 24: 1231-40 (2016)
Article DOI: 10.1016/j.bmc.2016.01.051
BindingDB Entry DOI: 10.7270/Q25D8TP7 |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM86431
(CAS_4179 | Mezerein | NSC_4179)Show SMILES CC1C(OC(=O)C=CC=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,8.7,t:35,TLB:1:37:19:16.17,THB:2:16:21.37.38:19,22:21:19:16.17,22:21:1.2.16:38.18.19| Show InChI InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 1342-8 (2003)
Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T |
More data for this
Ligand-Target Pair | |
Protein kinase C epsilon type
(Homo sapiens (Human)) | BDBM50133236
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/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
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human Protein kinase C epsilon |
J Med Chem 46: 4196-204 (2003)
Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2 |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM86434
(12-Deoxyphorbol 13-phenylacetate | CAS_105100 | NS...)Show SMILES CC1CC2(OC(=O)Cc3ccccc3)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C |t:17,25| Show InChI InChI=1S/C28H34O6/c1-16-10-21-26(32,24(16)31)14-19(15-29)11-20-23-25(3,4)27(23,13-17(2)28(20,21)33)34-22(30)12-18-8-6-5-7-9-18/h5-11,17,20-21,23,29,32-33H,12-15H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 1342-8 (2003)
Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T |
More data for this
Ligand-Target Pair | |
RAS guanyl-releasing protein 1
(Homo sapiens (Human)) | BDBM50244449
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1 Show InChI InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)22(27)29-16-24(15-26)13-18(23(28)30-24)12-19-14-25(3)21-11-7-6-10-20(19)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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 |
National Institute of Industrial Technology
Curated by ChEMBL
| Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from RasGRP1 (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation co... |
Bioorg Med Chem 25: 2971-2980 (2017)
Article DOI: 10.1016/j.bmc.2017.03.022
BindingDB Entry DOI: 10.7270/Q28P62P2 |
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 | |
RAS guanyl-releasing protein 1
(Homo sapiens (Human)) | BDBM50017892
(CHEMBL3289014)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccc3ccn(C)c23)C(=O)O1 Show InChI InChI=1S/C24H31NO5/c1-4-7-18(8-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)13-19-10-6-9-17-11-12-25(3)21(17)19/h6,9-13,18,26H,4-5,7-8,14-16H2,1-3H3/b20-13+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Industrial Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu from recombinant RasGRP1 C1 domain (unknown origin) after 10 mins by scintillation counting analysis in presence of phosphat... |
Bioorg Med Chem 22: 3123-40 (2014)
Article DOI: 10.1016/j.bmc.2014.04.024
BindingDB Entry DOI: 10.7270/Q2P270QK |
More data for this
Ligand-Target Pair | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50244451
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)Show SMILES CC(C)CC(CC(C)C)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1 Show InChI InChI=1S/C26H35NO5/c1-17(2)10-19(11-18(3)4)24(29)31-16-26(15-28)13-20(25(30)32-26)12-21-14-27(5)23-9-7-6-8-22(21)23/h6-9,12,14,17-19,28H,10-11,13,15-16H2,1-5H3/b20-12+ | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
National Cancer Institute at Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu from RasGRP3 (unknown origin) expressed in cells |
J Med Chem 51: 5371-86 (2008)
Article DOI: 10.1021/jm800380b
BindingDB Entry DOI: 10.7270/Q21V5DSQ |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50150646
(CHEMBL3770091)Show SMILES CC(C(=O)NCc1ccc(nc1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C30H26F6N4O5S2/c1-18(20-5-13-26(25(33)15-20)39-46(2,42)43)29(41)37-16-21-6-14-27(30(34,35)36)38-28(21)40(17-19-3-7-22(31)8-4-19)47(44,45)24-11-9-23(32)10-12-24/h3-15,18,39H,16-17H2,1-2H3,(H,37,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.710 | 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 after 60 mins by scintillation counting analysis |
Bioorg Med Chem 24: 1231-40 (2016)
Article DOI: 10.1016/j.bmc.2016.01.051
BindingDB Entry DOI: 10.7270/Q25D8TP7 |
More data for this
Ligand-Target Pair | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50244979
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1 Show InChI InChI=1S/C20H27NO5/c1-3-7-15(8-4-2)18(23)25-14-20(13-22)12-16(19(24)26-20)11-17-9-5-6-10-21-17/h5-6,9-11,15,22H,3-4,7-8,12-14H2,1-2H3/b16-11+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.720 | 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 from RasGRP3 (unknown origin) expressed in cells |
J Med Chem 51: 5371-86 (2008)
Article DOI: 10.1021/jm800380b
BindingDB Entry DOI: 10.7270/Q21V5DSQ |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50151119
(CHEMBL3769821)Show SMILES CC(C(=O)NCc1ccc(nc1N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C30H27ClF4N4O5S2/c1-19(21-8-14-26(25(32)16-21)38-45(2,41)42)29(40)36-17-22-9-15-27(30(33,34)35)37-28(22)39(18-20-6-4-3-5-7-20)46(43,44)24-12-10-23(31)11-13-24/h3-16,19,38H,17-18H2,1-2H3,(H,36,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.760 | 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 after 60 mins by scintillation counting analysis |
Bioorg Med Chem 24: 1231-40 (2016)
Article DOI: 10.1016/j.bmc.2016.01.051
BindingDB Entry DOI: 10.7270/Q25D8TP7 |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM86432
((-)-Octylindolactam V | CAS_159320 | NSC_159320)Show SMILES CCCCCCCCc1ccc2N(C)C(C(C)C)C(=O)NC(CO)Cc3c[nH]c1c23 Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 1342-8 (2003)
Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Mus musculus) | BDBM50133236
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+] |
J Med Chem 46: 4196-204 (2003)
Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2 |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50057512
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:23,t:12| Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-PDBu binding to PKC delta wild type |
J Med Chem 40: 1316-26 (1997)
Article DOI: 10.1021/jm960875h
BindingDB Entry DOI: 10.7270/Q2319TZS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50057514
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-5...)Show SMILES CCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc3c[nH]c1c23 Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)/t20-,24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]- PDBu from recombinant PKC delta expressed in baculovirus |
J Med Chem 40: 1316-26 (1997)
Article DOI: 10.1021/jm960875h
BindingDB Entry DOI: 10.7270/Q2319TZS |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Mus musculus) | BDBM50080322
(Acetic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-acet...)Show SMILES C[C@@H]1[C@@H](OC(C)=O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |t:14,22| Show InChI InChI=1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26)12(2)23(16,17)30/h7-8,12,16-18,20,25,29-30H,9-10H2,1-6H3/t12-,16+,17-,18?,20-,22-,23-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description
Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Phe13 to Gly) |
J Med Chem 42: 3436-46 (1999)
Article DOI: 10.1021/jm990129n
BindingDB Entry DOI: 10.7270/Q25T3JP5 |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Mus musculus) | BDBM50216859
(CHEMBL442232 | {2-(hydroxymethyl)-5-[5-methyl-3-(2...)Show SMILES CC(C)CC(C\C=C1\OC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C |w:9.11| Show InChI InChI=1S/C21H36O6/c1-14(2)10-16(11-15(3)4)8-9-17-18(23)27-21(12-22,26-17)13-25-19(24)20(5,6)7/h9,14-16,22H,8,10-13H2,1-7H3/b17-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu from mouse wild type C1b domain of PKCdelta expressed in Escherichia coli |
J Med Chem 50: 3465-81 (2007)
Article DOI: 10.1021/jm0702579
BindingDB Entry DOI: 10.7270/Q2RF5TQ5 |
More data for this
Ligand-Target Pair | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50244449
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1 Show InChI InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)22(27)29-16-24(15-26)13-18(23(28)30-24)12-19-14-25(3)21-11-7-6-10-20(19)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.840 | 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]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting |
J Med Chem 61: 6261-6276 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00661
BindingDB Entry DOI: 10.7270/Q28P632D |
More data for this
Ligand-Target Pair | |
RAS guanyl-releasing protein 1
(Homo sapiens (Human)) | BDBM50017891
(CHEMBL3289013)Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3ccn(C)c3c2)C(=O)O1 Show InChI InChI=1S/C24H31NO5/c1-4-6-19(7-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)12-17-8-9-18-10-11-25(3)21(18)13-17/h8-13,19,26H,4-7,14-16H2,1-3H3/b20-12+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Industrial Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu from recombinant RasGRP1 C1 domain (unknown origin) after 10 mins by scintillation counting analysis in presence of phosphat... |
Bioorg Med Chem 22: 3123-40 (2014)
Article DOI: 10.1016/j.bmc.2014.04.024
BindingDB Entry DOI: 10.7270/Q2P270QK |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Mus musculus) | BDBM50216857
((2-(hydroxymethyl)-4-(3-methylbutylidene)-5-oxo-te...)Show SMILES CC(C)C\C=C1\OC(CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O |w:7.9| Show InChI InChI=1S/C21H36O6/c1-14(2)7-8-18-20(24)27-21(12-22,26-18)13-25-19(23)11-17(9-15(3)4)10-16(5)6/h8,14-17,22H,7,9-13H2,1-6H3/b18-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu from mouse wild type C1b domain of PKCdelta expressed in Escherichia coli |
J Med Chem 50: 3465-81 (2007)
Article DOI: 10.1021/jm0702579
BindingDB Entry DOI: 10.7270/Q2RF5TQ5 |
More data for this
Ligand-Target Pair | |
Search and Browse
