Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50039230 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 |
|---|
Fructose-1,6-bisphosphatase 1
(Homo sapiens (Human)) | BDBM50322036
(CHEMBL1173125 | Ethyl(2S,6S)-4-{[(7-carbamoyl-8H-i...)Show SMILES CCOC(=O)[C@H](C)NP(=O)(COc1ccc(C(N)=O)c2Cc3scnc3-c12)N[C@@H](C)C(=O)OCC |r| Show InChI InChI=1S/C22H29N4O7PS/c1-5-31-21(28)12(3)25-34(30,26-13(4)22(29)32-6-2)11-33-16-8-7-14(20(23)27)15-9-17-19(18(15)16)24-10-35-17/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H2,23,27)(H2,25,26,30)/t12-,13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human FBase |
Bioorg Med Chem 18: 5346-51 (2010)
Article DOI: 10.1016/j.bmc.2010.05.041
BindingDB Entry DOI: 10.7270/Q2TB17V0 |
More data for this
Ligand-Target Pair | |
Fructose-1,6-bisphosphatase 1
(Homo sapiens (Human)) | BDBM50322037
(CHEMBL1173126 | Ethyl(2S,6S)-2,6-dimethyl-4-({[7-(...)Show SMILES CCOC(=O)[C@H](C)NP(=O)(COc1ccc(C(=O)NC)c2Cc3scnc3-c12)N[C@@H](C)C(=O)OCC |r| Show InChI InChI=1S/C23H31N4O7PS/c1-6-32-22(29)13(3)26-35(31,27-14(4)23(30)33-7-2)12-34-17-9-8-15(21(28)24-5)16-10-18-20(19(16)17)25-11-36-18/h8-9,11,13-14H,6-7,10,12H2,1-5H3,(H,24,28)(H2,26,27,31)/t13-,14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human FBase |
Bioorg Med Chem 18: 5346-51 (2010)
Article DOI: 10.1016/j.bmc.2010.05.041
BindingDB Entry DOI: 10.7270/Q2TB17V0 |
More data for this
Ligand-Target Pair | |
Fructose-1,6-bisphosphatase 1
(Homo sapiens (Human)) | BDBM50322039
(CHEMBL1173572 | Ethyl(2S,6S)-2,6-dimethyl-4-{[(7-m...)Show SMILES CCOC(=O)[C@H](C)NP(=O)(COc1ccc(C)c2Cc3scnc3-c12)N[C@@H](C)C(=O)OCC |r| Show InChI InChI=1S/C22H30N3O6PS/c1-6-29-21(26)14(4)24-32(28,25-15(5)22(27)30-7-2)12-31-17-9-8-13(3)16-10-18-20(19(16)17)23-11-33-18/h8-9,11,14-15H,6-7,10,12H2,1-5H3,(H2,24,25,28)/t14-,15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human FBase |
Bioorg Med Chem 18: 5346-51 (2010)
Article DOI: 10.1016/j.bmc.2010.05.041
BindingDB Entry DOI: 10.7270/Q2TB17V0 |
More data for this
Ligand-Target Pair | |
Fructose-1,6-bisphosphatase 1
(Homo sapiens (Human)) | BDBM50322042
(CHEMBL1172936 | Ethyl4-{[(6,7-dimethyl-8H-indeno[1...)Show SMILES CCOC(=O)CNP(=O)(COc1cc(C)c(C)c2Cc3scnc3-c12)NCC(=O)OCC Show InChI InChI=1S/C21H28N3O6PS/c1-5-28-18(25)9-23-31(27,24-10-19(26)29-6-2)12-30-16-7-13(3)14(4)15-8-17-21(20(15)16)22-11-32-17/h7,11H,5-6,8-10,12H2,1-4H3,(H2,23,24,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human FBase |
Bioorg Med Chem 18: 5346-51 (2010)
Article DOI: 10.1016/j.bmc.2010.05.041
BindingDB Entry DOI: 10.7270/Q2TB17V0 |
More data for this
Ligand-Target Pair | |
Fructose-1,6-bisphosphatase 1
(Homo sapiens (Human)) | BDBM50322043
((2S,2'S)-diethyl 2,2'-((5-(2-amino-5-isobutylthiaz...)Show SMILES CCOC(=O)[C@H](C)NP(=O)(N[C@@H](C)C(=O)OCC)c1ccc(o1)-c1nc(N)sc1CC(C)C |r| Show InChI InChI=1S/C21H33N4O6PS/c1-7-29-19(26)13(5)24-32(28,25-14(6)20(27)30-8-2)17-10-9-15(31-17)18-16(11-12(3)4)33-21(22)23-18/h9-10,12-14H,7-8,11H2,1-6H3,(H2,22,23)(H2,24,25,28)/t13-,14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human FBase |
Bioorg Med Chem 18: 5346-51 (2010)
Article DOI: 10.1016/j.bmc.2010.05.041
BindingDB Entry DOI: 10.7270/Q2TB17V0 |
More data for this
Ligand-Target Pair | |
Fructose-1,6-bisphosphatase 1
(Homo sapiens (Human)) | BDBM50317151
((2S,2'S)-diethyl 2,2'-(((6,7-dimethyl-8H-indeno[1,...)Show SMILES CCOC(=O)[C@H](C)NP(=O)(COc1cc(C)c(C)c2Cc3scnc3-c12)N[C@@H](C)C(=O)OCC |r| Show InChI InChI=1S/C23H32N3O6PS/c1-7-30-22(27)15(5)25-33(29,26-16(6)23(28)31-8-2)12-32-18-9-13(3)14(4)17-10-19-21(20(17)18)24-11-34-19/h9,11,15-16H,7-8,10,12H2,1-6H3,(H2,25,26,29)/t15-,16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human FBase |
Bioorg Med Chem 18: 5346-51 (2010)
Article DOI: 10.1016/j.bmc.2010.05.041
BindingDB Entry DOI: 10.7270/Q2TB17V0 |
More data for this
Ligand-Target Pair | |
Fructose-1,6-bisphosphatase 1
(Homo sapiens (Human)) | BDBM50322041
(CHEMBL1172935 | Isopropyl(2S,6S)-4-{[(6,7-dimethyl...)Show SMILES CC(C)OC(=O)[C@H](C)NP(=O)(COc1cc(C)c(C)c2Cc3scnc3-c12)N[C@@H](C)C(=O)OC(C)C |r| Show InChI InChI=1S/C25H36N3O6PS/c1-13(2)33-24(29)17(7)27-35(31,28-18(8)25(30)34-14(3)4)12-32-20-9-15(5)16(6)19-10-21-23(22(19)20)26-11-36-21/h9,11,13-14,17-18H,10,12H2,1-8H3,(H2,27,28,31)/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human FBase |
Bioorg Med Chem 18: 5346-51 (2010)
Article DOI: 10.1016/j.bmc.2010.05.041
BindingDB Entry DOI: 10.7270/Q2TB17V0 |
More data for this
Ligand-Target Pair | |
Fructose-1,6-bisphosphatase 1
(Homo sapiens (Human)) | BDBM50322038
(CHEMBL1173571 | Ethyl(2S,6S)-4-[({7-[(2,2-dimethyl...)Show SMILES CCOC(=O)[C@H](C)NP(=O)(COc1ccc(C(=O)NCC(C)(C)C)c2Cc3scnc3-c12)N[C@@H](C)C(=O)OCC |r| Show InChI InChI=1S/C27H39N4O7PS/c1-8-36-25(33)16(3)30-39(35,31-17(4)26(34)37-9-2)15-38-20-11-10-18(24(32)28-13-27(5,6)7)19-12-21-23(22(19)20)29-14-40-21/h10-11,14,16-17H,8-9,12-13,15H2,1-7H3,(H,28,32)(H2,30,31,35)/t16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human FBase |
Bioorg Med Chem 18: 5346-51 (2010)
Article DOI: 10.1016/j.bmc.2010.05.041
BindingDB Entry DOI: 10.7270/Q2TB17V0 |
More data for this
Ligand-Target Pair | |
Fructose-1,6-bisphosphatase 1
(Homo sapiens (Human)) | BDBM50322040
(CHEMBL1173636 | Ethyl(2S,6S)-4-{[(7-ethyl-8H-inden...)Show SMILES CCOC(=O)[C@H](C)NP(=O)(COc1ccc(CC)c2Cc3scnc3-c12)N[C@@H](C)C(=O)OCC |r| Show InChI InChI=1S/C23H32N3O6PS/c1-6-16-9-10-18(20-17(16)11-19-21(20)24-12-34-19)32-13-33(29,25-14(4)22(27)30-7-2)26-15(5)23(28)31-8-3/h9-10,12,14-15H,6-8,11,13H2,1-5H3,(H2,25,26,29)/t14-,15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human FBase |
Bioorg Med Chem 18: 5346-51 (2010)
Article DOI: 10.1016/j.bmc.2010.05.041
BindingDB Entry DOI: 10.7270/Q2TB17V0 |
More data for this
Ligand-Target Pair | |
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