Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50009637 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 |
|---|
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50530578
(CHEMBL4452781)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r,t:4| 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/h7,13-14,17,21,28H,5-6,8-12,15H2,1-4H3/t17-,21+,24+,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
ATP-citrate synthase
(Homo sapiens (Human)) | BDBM50530580
(CHEMBL4446933)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2[nH]c(=O)oc12 |r,t:4| Show InChI InChI=1S/C22H29NO3/c1-13-6-5-7-18-21(13,3)9-8-14(2)22(18,4)12-15-10-16(24)11-17-19(15)26-20(25)23-17/h6,10-11,14,18,24H,5,7-9,12H2,1-4H3,(H,23,25)/t14-,18+,21+,22+/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 ACL (unknown origin) |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(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
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50530580
(CHEMBL4446933)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2[nH]c(=O)oc12 |r,t:4| Show InChI InChI=1S/C22H29NO3/c1-13-6-5-7-18-21(13,3)9-8-14(2)22(18,4)12-15-10-16(24)11-17-19(15)26-20(25)23-17/h6,10-11,14,18,24H,5,7-9,12H2,1-4H3,(H,23,25)/t14-,18+,21+,22+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
ATP-citrate synthase
(Homo sapiens (Human)) | BDBM50530578
(CHEMBL4452781)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r,t:4| 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/h7,13-14,17,21,28H,5-6,8-12,15H2,1-4H3/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 ACL (unknown origin) |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
ATP-citrate synthase
(Homo sapiens (Human)) | BDBM50530581
(CHEMBL4444045)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2ncoc12 |r,t:4| Show InChI InChI=1S/C22H29NO2/c1-14-6-5-7-19-21(14,3)9-8-15(2)22(19,4)12-16-10-17(24)11-18-20(16)25-13-23-18/h6,10-11,13,15,19,24H,5,7-9,12H2,1-4H3/t15-,19+,21+,22+/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 ACL (unknown origin) |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50530578
(CHEMBL4452781)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r,t:4| 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/h7,13-14,17,21,28H,5-6,8-12,15H2,1-4H3/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
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50530581
(CHEMBL4444045)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2ncoc12 |r,t:4| Show InChI InChI=1S/C22H29NO2/c1-14-6-5-7-19-21(14,3)9-8-15(2)22(19,4)12-16-10-17(24)11-18-20(16)25-13-23-18/h6,10-11,13,15,19,24H,5,7-9,12H2,1-4H3/t15-,19+,21+,22+/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
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50530580
(CHEMBL4446933)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2[nH]c(=O)oc12 |r,t:4| Show InChI InChI=1S/C22H29NO3/c1-13-6-5-7-18-21(13,3)9-8-14(2)22(18,4)12-15-10-16(24)11-17-19(15)26-20(25)23-17/h6,10-11,14,18,24H,5,7-9,12H2,1-4H3,(H,23,25)/t14-,18+,21+,22+/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
BindingDB Entry DOI: 10.7270/Q2PN993V |
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
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
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(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
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
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50530581
(CHEMBL4444045)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2ncoc12 |r,t:4| Show InChI InChI=1S/C22H29NO2/c1-14-6-5-7-19-21(14,3)9-8-15(2)22(19,4)12-16-10-17(24)11-18-20(16)25-13-23-18/h6,10-11,13,15,19,24H,5,7-9,12H2,1-4H3/t15-,19+,21+,22+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50530580
(CHEMBL4446933)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2[nH]c(=O)oc12 |r,t:4| Show InChI InChI=1S/C22H29NO3/c1-13-6-5-7-18-21(13,3)9-8-14(2)22(18,4)12-15-10-16(24)11-17-19(15)26-20(25)23-17/h6,10-11,14,18,24H,5,7-9,12H2,1-4H3,(H,23,25)/t14-,18+,21+,22+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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
BindingDB Entry DOI: 10.7270/Q2PN993V |
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
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
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
ATP-citrate synthase
(Homo sapiens (Human)) | BDBM50530581
(CHEMBL4444045)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2ncoc12 |r,t:4| Show InChI InChI=1S/C22H29NO2/c1-14-6-5-7-19-21(14,3)9-8-15(2)22(19,4)12-16-10-17(24)11-18-20(16)25-13-23-18/h6,10-11,13,15,19,24H,5,7-9,12H2,1-4H3/t15-,19+,21+,22+/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 ACL (unknown origin) |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50530578
(CHEMBL4452781)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r,t:4| 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/h7,13-14,17,21,28H,5-6,8-12,15H2,1-4H3/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
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50530581
(CHEMBL4444045)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2ncoc12 |r,t:4| Show InChI InChI=1S/C22H29NO2/c1-14-6-5-7-19-21(14,3)9-8-15(2)22(19,4)12-16-10-17(24)11-18-20(16)25-13-23-18/h6,10-11,13,15,19,24H,5,7-9,12H2,1-4H3/t15-,19+,21+,22+/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
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50530580
(CHEMBL4446933)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2[nH]c(=O)oc12 |r,t:4| Show InChI InChI=1S/C22H29NO3/c1-13-6-5-7-18-21(13,3)9-8-14(2)22(18,4)12-15-10-16(24)11-17-19(15)26-20(25)23-17/h6,10-11,14,18,24H,5,7-9,12H2,1-4H3,(H,23,25)/t14-,18+,21+,22+/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
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(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
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
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
ATP-citrate synthase
(Homo sapiens (Human)) | BDBM50530580
(CHEMBL4446933)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2[nH]c(=O)oc12 |r,t:4| Show InChI InChI=1S/C22H29NO3/c1-13-6-5-7-18-21(13,3)9-8-14(2)22(18,4)12-15-10-16(24)11-17-19(15)26-20(25)23-17/h6,10-11,14,18,24H,5,7-9,12H2,1-4H3,(H,23,25)/t14-,18+,21+,22+/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 ACL (unknown origin) |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50530578
(CHEMBL4452781)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r,t:4| 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/h7,13-14,17,21,28H,5-6,8-12,15H2,1-4H3/t17-,21+,24+,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50530581
(CHEMBL4444045)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2ncoc12 |r,t:4| Show InChI InChI=1S/C22H29NO2/c1-14-6-5-7-19-21(14,3)9-8-15(2)22(19,4)12-16-10-17(24)11-18-20(16)25-13-23-18/h6,10-11,13,15,19,24H,5,7-9,12H2,1-4H3/t15-,19+,21+,22+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
ATP-citrate synthase
(Homo sapiens (Human)) | BDBM50530578
(CHEMBL4452781)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r,t:4| 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/h7,13-14,17,21,28H,5-6,8-12,15H2,1-4H3/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 ACL (unknown origin) |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(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
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
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