Found 9 hits with Last Name = 'chen' and Initial = 'yw' 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 |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50068561
((16E,24E,26E,28E)-1,18-Dihydroxy-12-[2-(4-hydroxy-...)Show SMILES CO[C@@H]1C[C@H](CC(C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@H]3O[C@](O)([C@H](C)C[C@@H]3OC)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31| Show InChI InChI=1S/C52H81NO14/c1-30-17-13-12-14-18-31(2)41(62-8)29-45-44(64-10)26-36(7)52(61,67-45)49(58)50(59)53-22-16-15-19-38(53)51(60)66-42(33(4)25-37-20-21-39(54)43(27-37)63-9)28-40(55)32(3)24-35(6)47(57)48(65-11)46(56)34(5)23-30/h12-14,17-18,24,30,32-34,36-39,41-45,47-48,54,57,61H,15-16,19-23,25-29H2,1-11H3/b14-12+,17-13+,31-18+,35-24+/t30-,32-,33?,34-,36-,37+,38+,39-,41+,42+,43-,44+,45-,47+,48+,52-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against FKBP12 |
Bioorg Med Chem Lett 15: 5340-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.106 BindingDB Entry DOI: 10.7270/Q2V40TRJ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50174276
((1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S...)Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@@H]1n1cnnn1 |c:14,33,t:29,31| Show InChI InChI=1S/C52H79N5O12/c1-31-16-12-11-13-17-32(2)43(65-8)28-39-21-19-37(7)52(64,69-39)49(61)50(62)56-23-15-14-18-41(56)51(63)68-44(34(4)26-38-20-22-40(45(27-38)66-9)57-30-53-54-55-57)29-42(58)33(3)25-36(6)47(60)48(67-10)46(59)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-41,43-45,47-48,60,64H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,32-17+,36-25+/t31-,33-,34-,35-,37-,38+,39+,40+,41+,43+,44+,45-,47-,48+,52-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against FKBP12 |
Bioorg Med Chem Lett 15: 5340-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.106 BindingDB Entry DOI: 10.7270/Q2V40TRJ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50174275
((1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S...)Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@@H]1n1ncnn1 |c:14,33,t:29,31| Show InChI InChI=1S/C52H79N5O12/c1-31-16-12-11-13-17-32(2)43(65-8)28-39-21-19-37(7)52(64,69-39)49(61)50(62)56-23-15-14-18-41(56)51(63)68-44(34(4)26-38-20-22-40(45(27-38)66-9)57-54-30-53-55-57)29-42(58)33(3)25-36(6)47(60)48(67-10)46(59)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-41,43-45,47-48,60,64H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,32-17+,36-25+/t31-,33-,34-,35-,37-,38+,39+,40+,41+,43+,44+,45-,47-,48+,52-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against FKBP12 |
Bioorg Med Chem Lett 15: 5340-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.106 BindingDB Entry DOI: 10.7270/Q2V40TRJ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50174277
((1R,2R,4S)-4-[(2R)-2-[(1R,9S,15R,16E,18R,19R,21R,2...)Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)C2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OC(=O)N(C)OC |c:14,33,t:29,31| Show InChI InChI=1S/C54H84N2O15/c1-32-18-14-13-15-19-33(2)44(65-9)30-40-23-21-38(7)54(64,71-40)50(60)51(61)56-25-17-16-20-41(56)52(62)69-45(31-42(57)34(3)27-37(6)48(59)49(67-11)47(58)36(5)26-32)35(4)28-39-22-24-43(46(29-39)66-10)70-53(63)55(8)68-12/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,59,64H,16-17,20-26,28-31H2,1-12H3/b15-13+,18-14+,33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45?,46-,48-,49+,54-/m1/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 | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against FKBP12 |
Bioorg Med Chem Lett 15: 5340-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.106 BindingDB Entry DOI: 10.7270/Q2V40TRJ |
More data for this Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50358189
(CHEMBL1921967)Show SMILES Cc1nc(sc1C)N1C(C(C(=O)c2cccs2)C(=O)C1=O)c1cccs1 Show InChI InChI=1S/C18H14N2O3S3/c1-9-10(2)26-18(19-9)20-14(11-5-3-7-24-11)13(16(22)17(20)23)15(21)12-6-4-8-25-12/h3-8,13-14H,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of acid-induced matriptase activation in human 184A1N4 cells using mAb M69 by cell-based ELISA like assay |
J Med Chem 54: 7567-78 (2011)
Article DOI: 10.1021/jm200920s BindingDB Entry DOI: 10.7270/Q21Z44VZ |
More data for this Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50358190
(CHEMBL1921968)Show SMILES Cc1nc(sc1C)N1C(C(C(=O)c2cccs2)C(=O)C1=O)c1ccccc1 Show InChI InChI=1S/C20H16N2O3S2/c1-11-12(2)27-20(21-11)22-16(13-7-4-3-5-8-13)15(18(24)19(22)25)17(23)14-9-6-10-26-14/h3-10,15-16H,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of acid-induced matriptase activation in human 184A1N4 cells using mAb M69 by cell-based ELISA like assay |
J Med Chem 54: 7567-78 (2011)
Article DOI: 10.1021/jm200920s BindingDB Entry DOI: 10.7270/Q21Z44VZ |
More data for this Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50358188
(CHEMBL1921966)Show SMILES O=C(C1C(N(C(=O)C1=O)c1nccs1)c1cccs1)c1cccs1 Show InChI InChI=1S/C16H10N2O3S3/c19-13(10-4-2-7-23-10)11-12(9-3-1-6-22-9)18(15(21)14(11)20)16-17-5-8-24-16/h1-8,11-12H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of acid-induced matriptase activation in human 184A1N4 cells using mAb M69 by cell-based ELISA like assay |
J Med Chem 54: 7567-78 (2011)
Article DOI: 10.1021/jm200920s BindingDB Entry DOI: 10.7270/Q21Z44VZ |
More data for this Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50358191
(CHEMBL1921969)Show SMILES Cc1nc(sc1C)N1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1cccs1 Show InChI InChI=1S/C20H16N2O3S2/c1-11-12(2)27-20(21-11)22-16(14-9-6-10-26-14)15(18(24)19(22)25)17(23)13-7-4-3-5-8-13/h3-10,15-16H,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of acid-induced matriptase activation in human 184A1N4 cells using mAb M69 by cell-based ELISA like assay |
J Med Chem 54: 7567-78 (2011)
Article DOI: 10.1021/jm200920s BindingDB Entry DOI: 10.7270/Q21Z44VZ |
More data for this Ligand-Target Pair | |
Cell division protein FtsZ
(Staphylococcus aureus) | BDBM50589185
(CHEMBL5199894)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\N1CCCCC1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00249j BindingDB Entry DOI: 10.7270/Q20P140J |
More data for this Ligand-Target Pair | |