BDBM50292434 CHEMBL509422::betulinic acid 28-O-carboxymethylmethylate
SMILES: COC(=O)COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
InChI Key: InChIKey=LTZAIRFLKGABFV-ISCFYSBKSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50292434 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Protein kinase C, epsilon
(Homo sapiens (Human)) | BDBM50292434
(CHEMBL509422 | betulinic acid 28-O-carboxymethylme...)Show SMILES COC(=O)COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C |r| Show InChI InChI=1S/C33H52O5/c1-20(2)21-11-16-33(28(36)38-19-26(35)37-8)18-17-31(6)22(27(21)33)9-10-24-30(5)14-13-25(34)29(3,4)23(30)12-15-32(24,31)7/h21-25,27,34H,1,9-19H2,2-8H3/t21-,22+,23-,24+,25-,27+,30-,31+,32+,33-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PKC epsilon |
J Nat Prod 57: 243-247 (1994)
Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z |
More data for this Ligand-Target Pair | |
PKC alpha and beta-2
(Homo sapiens (Human)) | BDBM50292434
(CHEMBL509422 | betulinic acid 28-O-carboxymethylme...)Show SMILES COC(=O)COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C |r| Show InChI InChI=1S/C33H52O5/c1-20(2)21-11-16-33(28(36)38-19-26(35)37-8)18-17-31(6)22(27(21)33)9-10-24-30(5)14-13-25(34)29(3,4)23(30)12-15-32(24,31)7/h21-25,27,34H,1,9-19H2,2-8H3/t21-,22+,23-,24+,25-,27+,30-,31+,32+,33-/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
| n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PKC beta2 |
J Nat Prod 57: 243-247 (1994)
Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z |
More data for this Ligand-Target Pair | |