Found 6 hits for monomerid = 50530579 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 |
ATP-citrate synthase
(Homo sapiens (Human)) | BDBM50530579
(CHEMBL4452883)Show SMILES [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r| Show InChI InChI=1S/C25H34N2O/c1-16-7-5-8-21-24(16,3)11-10-17(2)25(21,4)15-18-13-19(28)14-20-23(18)27-12-6-9-22(27)26-20/h13-14,17,21,28H,1,5-12,15H2,2-4H3/t17-,21+,24+,25+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description Inhibition of ACL (unknown origin) |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471 |
More data for this Ligand-Target Pair | |
Protein-tyrosine phosphatase 1B
(Homo sapiens (Human)) | BDBM50530579
(CHEMBL4452883)Show SMILES [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r| Show InChI InChI=1S/C25H34N2O/c1-16-7-5-8-21-24(16,3)11-10-17(2)25(21,4)15-18-13-19(28)14-20-23(18)27-12-6-9-22(27)26-20/h13-14,17,21,28H,1,5-12,15H2,2-4H3/t17-,21+,24+,25+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471 |
More data for this Ligand-Target Pair | |
Protein-tyrosine phosphatase 1C
(Homo sapiens (Human)) | BDBM50530579
(CHEMBL4452883)Show SMILES [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r| Show InChI InChI=1S/C25H34N2O/c1-16-7-5-8-21-24(16,3)11-10-17(2)25(21,4)15-18-13-19(28)14-20-23(18)27-12-6-9-22(27)26-20/h13-14,17,21,28H,1,5-12,15H2,2-4H3/t17-,21+,24+,25+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description Inhibition of SHP1 (unknown origin) |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471 |
More data for this Ligand-Target Pair | |
Protein-tyrosine phosphatase 1B
(Homo sapiens (Human)) | BDBM50530579
(CHEMBL4452883)Show SMILES [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r| Show InChI InChI=1S/C25H34N2O/c1-16-7-5-8-21-24(16,3)11-10-17(2)25(21,4)15-18-13-19(28)14-20-23(18)27-12-6-9-22(27)26-20/h13-14,17,21,28H,1,5-12,15H2,2-4H3/t17-,21+,24+,25+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471 |
More data for this Ligand-Target Pair | |
Protein-tyrosine phosphatase 1C
(Homo sapiens (Human)) | BDBM50530579
(CHEMBL4452883)Show SMILES [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r| Show InChI InChI=1S/C25H34N2O/c1-16-7-5-8-21-24(16,3)11-10-17(2)25(21,4)15-18-13-19(28)14-20-23(18)27-12-6-9-22(27)26-20/h13-14,17,21,28H,1,5-12,15H2,2-4H3/t17-,21+,24+,25+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description Inhibition of SHP1 (unknown origin) |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471 |
More data for this Ligand-Target Pair | |
ATP-citrate synthase
(Homo sapiens (Human)) | BDBM50530579
(CHEMBL4452883)Show SMILES [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r| Show InChI InChI=1S/C25H34N2O/c1-16-7-5-8-21-24(16,3)11-10-17(2)25(21,4)15-18-13-19(28)14-20-23(18)27-12-6-9-22(27)26-20/h13-14,17,21,28H,1,5-12,15H2,2-4H3/t17-,21+,24+,25+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description Inhibition of ACL (unknown origin) |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471 |
More data for this Ligand-Target Pair | |