Found 126 hits with Last Name = 'scott' and Initial = 'pj' 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 |
|---|
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM47032
(2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl...)Show SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet 
| Purchase
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to heparin induced human Tau 441 at 50 pM to 500 nM after 30 mins |
ACS Med Chem Lett 3: 936-941 (2012)
Article DOI: 10.1021/ml300216t
BindingDB Entry DOI: 10.7270/Q2Z320TV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM8296
(3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4| Show InChI InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length recombinant human GSK-3alpha expressed in baculovirus infected insect Sf9 cells using GS-2 peptide as substrate... |
ACS Med Chem Lett 6: 548-52 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00044
BindingDB Entry DOI: 10.7270/Q2348N35 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283831
(CHEMBL319986 | N-tert-Butyl-2-[(3R,5S,7R)-7-(3-flu...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2cccc(F)c2)c2ccccc2)c1 Show InChI InChI=1S/C32H37FN4O3/c1-21-10-8-15-26(16-21)34-31(40)35-27-18-24(22-11-6-5-7-12-22)19-28(23-13-9-14-25(33)17-23)37(30(27)39)20-29(38)36-32(2,3)4/h5-17,24,27-28H,18-20H2,1-4H3,(H,36,38)(H2,34,35,40)/t24-,27+,28+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283832
(CHEMBL319504 | N-tert-Butyl-2-[(3R,5S,7R)-2-oxo-7-...)Show SMILES Cc1ccc(cc1)[C@H]1C[C@@H](NC(=O)Nc2cccc(C)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C33H40N4O3/c1-22-14-16-24(17-15-22)26-19-28(35-32(40)34-27-13-9-10-23(2)18-27)31(39)37(21-30(38)36-33(3,4)5)29(20-26)25-11-7-6-8-12-25/h6-18,26,28-29H,19-21H2,1-5H3,(H,36,38)(H2,34,35,40)/t26-,28+,29+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283845
(2-[(3R,5S,7R)-2-Oxo-7-phenyl-5-o-tolyl-3-(3-m-toly...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)Nc3ccccc3C)C2=O)c2ccccc2)c2ccccc2C)c1 Show InChI InChI=1S/C36H38N4O3/c1-24-12-11-17-29(20-24)37-36(43)39-32-21-28(30-18-9-7-13-25(30)2)22-33(27-15-5-4-6-16-27)40(35(32)42)23-34(41)38-31-19-10-8-14-26(31)3/h4-20,28,32-33H,21-23H2,1-3H3,(H,38,41)(H2,37,39,43)/t28-,32+,33+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283843
(CHEMBL320821 | N-(2-Chloro-phenyl)-2-[(3R,5S,7R)-2...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)Nc3ccccc3Cl)C2=O)c2ccccc2)c2ccccc2C)c1 Show InChI InChI=1S/C35H35ClN4O3/c1-23-11-10-15-27(19-23)37-35(43)39-31-20-26(28-16-7-6-12-24(28)2)21-32(25-13-4-3-5-14-25)40(34(31)42)22-33(41)38-30-18-9-8-17-29(30)36/h3-19,26,31-32H,20-22H2,1-2H3,(H,38,41)(H2,37,39,43)/t26-,31+,32+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283842
(CHEMBL316619 | N-tert-Butyl-2-[(3R,5S,7R)-2-oxo-7-...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccccc2)c2cccc(C)c2)c1 Show InChI InChI=1S/C33H40N4O3/c1-22-11-9-15-25(17-22)26-19-28(35-32(40)34-27-16-10-12-23(2)18-27)31(39)37(21-30(38)36-33(3,4)5)29(20-26)24-13-7-6-8-14-24/h6-18,26,28-29H,19-21H2,1-5H3,(H,36,38)(H2,34,35,40)/t26-,28+,29+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283838
(CHEMBL316504 | N-tert-Butyl-2-[(3R,5S,7R)-2-oxo-5-...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2cccc(C)c2)c2ccccc2)c1 Show InChI InChI=1S/C33H40N4O3/c1-22-11-9-15-25(17-22)29-20-26(24-13-7-6-8-14-24)19-28(31(39)37(29)21-30(38)36-33(3,4)5)35-32(40)34-27-16-10-12-23(2)18-27/h6-18,26,28-29H,19-21H2,1-5H3,(H,36,38)(H2,34,35,40)/t26-,28+,29+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283826
(CHEMBL327496 | N-tert-Butyl-2-{(3R,5S,7R)-3-[3-(3-...)Show SMILES Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(F)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C32H37FN4O3/c1-21-11-8-9-16-26(21)23-17-27(35-31(40)34-25-15-10-14-24(33)19-25)30(39)37(20-29(38)36-32(2,3)4)28(18-23)22-12-6-5-7-13-22/h5-16,19,23,27-28H,17-18,20H2,1-4H3,(H,36,38)(H2,34,35,40)/t23-,27+,28+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283827
(CHEMBL329286 | N-tert-Butyl-2-{(3R,5S,7R)-3-[3-(4-...)Show SMILES COc1ccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccccc2)c2ccccc2C)cc1 Show InChI InChI=1S/C33H40N4O4/c1-22-11-9-10-14-27(22)24-19-28(35-32(40)34-25-15-17-26(41-5)18-16-25)31(39)37(21-30(38)36-33(2,3)4)29(20-24)23-12-7-6-8-13-23/h6-18,24,28-29H,19-21H2,1-5H3,(H,36,38)(H2,34,35,40)/t24-,28+,29+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283839
(CHEMBL330197 | N-tert-Butyl-2-[(3R,5S,7R)-7-(4-flu...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccc(F)cc2)c2ccccc2)c1 Show InChI InChI=1S/C32H37FN4O3/c1-21-9-8-12-26(17-21)34-31(40)35-27-18-24(22-10-6-5-7-11-22)19-28(23-13-15-25(33)16-14-23)37(30(27)39)20-29(38)36-32(2,3)4/h5-17,24,27-28H,18-20H2,1-4H3,(H,36,38)(H2,34,35,40)/t24-,27+,28+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM16452
((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta |
J Med Chem 35: 457-65 (1992)
BindingDB Entry DOI: 10.7270/Q28051K1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50008471
(CHEMBL143234 | [3-(5,7-Difluoro-benzooxazol-2-ylme...)Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3o2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H11F2N3O4/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta |
J Med Chem 35: 457-65 (1992)
BindingDB Entry DOI: 10.7270/Q28051K1 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283824
(CHEMBL329735 | N-(1-Methyl-cyclohexyl)-2-[(3R,5S,7...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC3(C)CCCCC3)C2=O)c2ccccc2)c2ccccc2C)c1 Show InChI InChI=1S/C36H44N4O3/c1-25-13-12-17-29(21-25)37-35(43)38-31-22-28(30-18-9-8-14-26(30)2)23-32(27-15-6-4-7-16-27)40(34(31)42)24-33(41)39-36(3)19-10-5-11-20-36/h4,6-9,12-18,21,28,31-32H,5,10-11,19-20,22-24H2,1-3H3,(H,39,41)(H2,37,38,43)/t28-,31+,32+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50008441
(CHEMBL422647 | [4-Oxo-3-(3-o-tolyl-[1,2,4]oxadiazo...)Show SMILES Cc1ccccc1-c1noc(Cn2nc(CC(O)=O)c3ccccc3c2=O)n1 Show InChI InChI=1S/C20H16N4O4/c1-12-6-2-3-7-13(12)19-21-17(28-23-19)11-24-20(27)15-9-5-4-8-14(15)16(22-24)10-18(25)26/h2-9H,10-11H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta |
J Med Chem 35: 457-65 (1992)
BindingDB Entry DOI: 10.7270/Q28051K1 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50008480
(CHEMBL341864 | {3-[3-(2-Bromo-phenyl)-[1,2,4]oxadi...)Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2ccccc2Br)c(=O)c2ccccc12 Show InChI InChI=1S/C19H13BrN4O4/c20-14-8-4-3-7-13(14)18-21-16(28-23-18)10-24-19(27)12-6-2-1-5-11(12)15(22-24)9-17(25)26/h1-8H,9-10H2,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta |
J Med Chem 35: 457-65 (1992)
BindingDB Entry DOI: 10.7270/Q28051K1 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50283825
(CHEMBL96970 | N-tert-Butyl-2-[(3R,5S,7R)-2-oxo-7-p...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccccc2)c2ccccc2C)c1 Show InChI InChI=1S/C33H40N4O3/c1-22-12-11-16-26(18-22)34-32(40)35-28-19-25(27-17-10-9-13-23(27)2)20-29(24-14-7-6-8-15-24)37(31(28)39)21-30(38)36-33(3,4)5/h6-18,25,28-29H,19-21H2,1-5H3,(H,36,38)(H2,34,35,40)/t25-,28+,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-B (CCK-B) receptor in cortex of male hartley guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50006878
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-B (CCK-B) receptor in cortex of male hartley guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283823
(CHEMBL321752 | N-(1-tert-Butyl-2,2-dimethyl-propyl...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C(C)(C)C)C(C)(C)C)C2=O)c2ccccc2)c2ccccc2C)c1 Show InChI InChI=1S/C38H50N4O3/c1-25-15-14-19-29(21-25)39-36(45)40-31-22-28(30-20-13-12-16-26(30)2)23-32(27-17-10-9-11-18-27)42(34(31)44)24-33(43)41-35(37(3,4)5)38(6,7)8/h9-21,28,31-32,35H,22-24H2,1-8H3,(H,41,43)(H2,39,40,45)/t28-,31+,32+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283829
(CHEMBL99311 | N-tert-Butyl-2-{(3R,5S,7R)-3-[3-(4-c...)Show SMILES Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2ccc(Cl)cc2)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C32H37ClN4O3/c1-21-10-8-9-13-26(21)23-18-27(35-31(40)34-25-16-14-24(33)15-17-25)30(39)37(20-29(38)36-32(2,3)4)28(19-23)22-11-6-5-7-12-22/h5-17,23,27-28H,18-20H2,1-4H3,(H,36,38)(H2,34,35,40)/t23-,27+,28+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283836
(2-[(3R,5S,7R)-2-Oxo-7-phenyl-5-o-tolyl-3-(3-m-toly...)Show SMILES Cc1ccc(NC(=O)CN2[C@H](C[C@H](C[C@@H](NC(=O)Nc3cccc(C)c3)C2=O)c2ccccc2C)c2ccccc2)cc1 Show InChI InChI=1S/C36H38N4O3/c1-24-16-18-29(19-17-24)37-34(41)23-40-33(27-12-5-4-6-13-27)22-28(31-15-8-7-11-26(31)3)21-32(35(40)42)39-36(43)38-30-14-9-10-25(2)20-30/h4-20,28,32-33H,21-23H2,1-3H3,(H,37,41)(H2,38,39,43)/t28-,32+,33+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283830
(2-{(3R,5S,7R)-3-[3-(3-Ethyl-phenyl)-ureido]-2-oxo-...)Show SMILES CCc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC3(C)CCCCC3)C2=O)c2ccccc2)c2ccccc2C)c1 Show InChI InChI=1S/C37H46N4O3/c1-4-27-15-13-18-30(22-27)38-36(44)39-32-23-29(31-19-10-9-14-26(31)2)24-33(28-16-7-5-8-17-28)41(35(32)43)25-34(42)40-37(3)20-11-6-12-21-37/h5,7-10,13-19,22,29,32-33H,4,6,11-12,20-21,23-25H2,1-3H3,(H,40,42)(H2,38,39,44)/t29-,32+,33+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283841
(CHEMBL317366 | N-(4-Chloro-phenyl)-2-[(3R,5S,7R)-2...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c2ccccc2)c2ccccc2C)c1 Show InChI InChI=1S/C35H35ClN4O3/c1-23-9-8-13-29(19-23)38-35(43)39-31-20-26(30-14-7-6-10-24(30)2)21-32(25-11-4-3-5-12-25)40(34(31)42)22-33(41)37-28-17-15-27(36)16-18-28/h3-19,26,31-32H,20-22H2,1-2H3,(H,37,41)(H2,38,39,43)/t26-,31+,32+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283828
(CHEMBL414223 | N-(3-Chloro-phenyl)-2-[(3R,5S,7R)-2...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)Nc3cccc(Cl)c3)C2=O)c2ccccc2)c2ccccc2C)c1 Show InChI InChI=1S/C35H35ClN4O3/c1-23-10-8-15-28(18-23)38-35(43)39-31-19-26(30-17-7-6-11-24(30)2)20-32(25-12-4-3-5-13-25)40(34(31)42)22-33(41)37-29-16-9-14-27(36)21-29/h3-18,21,26,31-32H,19-20,22H2,1-2H3,(H,37,41)(H2,38,39,43)/t26-,31+,32+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283840
(CHEMBL319749 | N-tert-Butyl-2-[(3S,5S,7R)-2-oxo-5,...)Show SMILES Cc1cccc(NC(=O)N[C@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C32H38N4O3/c1-22-12-11-17-26(18-22)33-31(39)34-27-19-25(23-13-7-5-8-14-23)20-28(24-15-9-6-10-16-24)36(30(27)38)21-29(37)35-32(2,3)4/h5-18,25,27-28H,19-21H2,1-4H3,(H,35,37)(H2,33,34,39)/t25-,27-,28+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283847
(CHEMBL319882 | N-tert-Butyl-2-{(3R,5S,7R)-3-[3-(3-...)Show SMILES Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(c2)[N+]([O-])=O)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C32H37N5O5/c1-21-11-8-9-16-26(21)23-17-27(34-31(40)33-24-14-10-15-25(19-24)37(41)42)30(39)36(20-29(38)35-32(2,3)4)28(18-23)22-12-6-5-7-13-22/h5-16,19,23,27-28H,17-18,20H2,1-4H3,(H,35,38)(H2,33,34,40)/t23-,27+,28+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50283847
(CHEMBL319882 | N-tert-Butyl-2-{(3R,5S,7R)-3-[3-(3-...)Show SMILES Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(c2)[N+]([O-])=O)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C32H37N5O5/c1-21-11-8-9-16-26(21)23-17-27(34-31(40)33-24-14-10-15-25(19-24)37(41)42)30(39)36(20-29(38)35-32(2,3)4)28(18-23)22-12-6-5-7-13-22/h5-16,19,23,27-28H,17-18,20H2,1-4H3,(H,35,38)(H2,33,34,40)/t23-,27+,28+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-B (CCK-B) receptor in cortex of male hartley guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50230363
(CHEMBL422476)Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2ccccc2F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H13FN4O4/c20-14-8-4-3-7-13(14)18-21-16(28-23-18)10-24-19(27)12-6-2-1-5-11(12)15(22-24)9-17(25)26/h1-8H,9-10H2,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta |
J Med Chem 35: 457-65 (1992)
BindingDB Entry DOI: 10.7270/Q28051K1 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50008456
(CHEMBL143633 | {3-[(3-Chloro-phenylcarbamoyl)-meth...)Show SMILES OC(=O)Cc1nn(CC(=O)Nc2cccc(Cl)c2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H14ClN3O4/c19-11-4-3-5-12(8-11)20-16(23)10-22-18(26)14-7-2-1-6-13(14)15(21-22)9-17(24)25/h1-8H,9-10H2,(H,20,23)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta |
J Med Chem 35: 457-65 (1992)
BindingDB Entry DOI: 10.7270/Q28051K1 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50283833
(CHEMBL327526 | N-tert-Butyl-2-[(3R,5S,7R)-2-oxo-5,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C32H38N4O3/c1-22-12-11-17-26(18-22)33-31(39)34-27-19-25(23-13-7-5-8-14-23)20-28(24-15-9-6-10-16-24)36(30(27)38)21-29(37)35-32(2,3)4/h5-18,25,27-28H,19-21H2,1-4H3,(H,35,37)(H2,33,34,39)/t25-,27+,28+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-B (CCK-B) receptor in cortex of male hartley guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50008479
(CHEMBL143098 | {3-[3-(2,3-Difluoro-phenyl)-[1,2,4]...)Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2cccc(F)c2F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F2N4O4/c20-13-7-3-6-12(17(13)21)18-22-15(29-24-18)9-25-19(28)11-5-2-1-4-10(11)14(23-25)8-16(26)27/h1-7H,8-9H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta |
J Med Chem 35: 457-65 (1992)
BindingDB Entry DOI: 10.7270/Q28051K1 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50008484
(CHEMBL344057 | {4-Oxo-3-[(3-trifluoromethyl-phenyl...)Show SMILES OC(=O)Cc1nn(CC(=O)Nc2cccc(c2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H14F3N3O4/c20-19(21,22)11-4-3-5-12(8-11)23-16(26)10-25-18(29)14-7-2-1-6-13(14)15(24-25)9-17(27)28/h1-8H,9-10H2,(H,23,26)(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta |
J Med Chem 35: 457-65 (1992)
BindingDB Entry DOI: 10.7270/Q28051K1 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50008449
(2-(3-(2-(3-fluorophenylamino)-2-oxoethyl)-4-oxo-3,...)Show SMILES OC(=O)Cc1nn(CC(=O)Nc2cccc(F)c2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H14FN3O4/c19-11-4-3-5-12(8-11)20-16(23)10-22-18(26)14-7-2-1-6-13(14)15(21-22)9-17(24)25/h1-8H,9-10H2,(H,20,23)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta |
J Med Chem 35: 457-65 (1992)
BindingDB Entry DOI: 10.7270/Q28051K1 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50008482
(CHEMBL345068 | {3-[3-(2-Chloro-phenyl)-[1,2,4]oxad...)Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2ccccc2Cl)c(=O)c2ccccc12 Show InChI InChI=1S/C19H13ClN4O4/c20-14-8-4-3-7-13(14)18-21-16(28-23-18)10-24-19(27)12-6-2-1-5-11(12)15(22-24)9-17(25)26/h1-8H,9-10H2,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta |
J Med Chem 35: 457-65 (1992)
BindingDB Entry DOI: 10.7270/Q28051K1 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50283822
(CHEMBL97133 | N-tert-Butyl-2-[(3R,5S,7R)-5-(2-ethy...)Show SMILES CCc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(C)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C34H42N4O3/c1-6-24-14-10-11-18-28(24)26-20-29(36-33(41)35-27-17-12-13-23(2)19-27)32(40)38(22-31(39)37-34(3,4)5)30(21-26)25-15-8-7-9-16-25/h7-19,26,29-30H,6,20-22H2,1-5H3,(H,37,39)(H2,35,36,41)/t26-,29+,30+/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-B (CCK-B) receptor in cortex of male hartley guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50008468
(CHEMBL358792 | [3-(5-Bromo-benzooxazol-2-ylmethyl)...)Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Br)ccc3o2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H12BrN3O4/c19-10-5-6-15-14(7-10)20-16(26-15)9-22-18(25)12-4-2-1-3-11(12)13(21-22)8-17(23)24/h1-7H,8-9H2,(H,23,24) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta |
J Med Chem 35: 457-65 (1992)
BindingDB Entry DOI: 10.7270/Q28051K1 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50283834
(CHEMBL319748 | N-tert-Butyl-2-{(3R,5S,7R)-2-oxo-7-...)Show SMILES Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(c2)C(F)(F)F)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C33H37F3N4O3/c1-21-11-8-9-16-26(21)23-17-27(38-31(43)37-25-15-10-14-24(19-25)33(34,35)36)30(42)40(20-29(41)39-32(2,3)4)28(18-23)22-12-6-5-7-13-22/h5-16,19,23,27-28H,17-18,20H2,1-4H3,(H,39,41)(H2,37,38,43)/t23-,27+,28+/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-B (CCK-B) receptor in cortex of male hartley guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50406710
(CHEMBL2111988)Show SMILES OC(=O)Cc1nn(Cc2noc(n2)-c2ccccc2Cl)c(=O)c2ccccc12 Show InChI InChI=1S/C19H13ClN4O4/c20-14-8-4-3-7-13(14)18-21-16(23-28-18)10-24-19(27)12-6-2-1-5-11(12)15(22-24)9-17(25)26/h1-8H,9-10H2,(H,25,26) | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta |
J Med Chem 35: 457-65 (1992)
BindingDB Entry DOI: 10.7270/Q28051K1 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50008475
(CHEMBL142599 | {3-[(2-Bromo-5-trifluoromethyl-phen...)Show SMILES OC(=O)Cc1nn(CC(=O)Nc2cc(ccc2Br)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H13BrF3N3O4/c20-13-6-5-10(19(21,22)23)7-15(13)24-16(27)9-26-18(30)12-4-2-1-3-11(12)14(25-26)8-17(28)29/h1-7H,8-9H2,(H,24,27)(H,28,29) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta |
J Med Chem 35: 457-65 (1992)
BindingDB Entry DOI: 10.7270/Q28051K1 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50283843
(CHEMBL320821 | N-(2-Chloro-phenyl)-2-[(3R,5S,7R)-2...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)Nc3ccccc3Cl)C2=O)c2ccccc2)c2ccccc2C)c1 Show InChI InChI=1S/C35H35ClN4O3/c1-23-11-10-15-27(19-23)37-35(43)39-31-20-26(28-16-7-6-12-24(28)2)21-32(25-13-4-3-5-14-25)40(34(31)42)22-33(41)38-30-18-9-8-17-29(30)36/h3-19,26,31-32H,20-22H2,1-2H3,(H,38,41)(H2,37,39,43)/t26-,31+,32+/m0/s1 | PDB
Reactome pathway
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TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-B (CCK-B) receptor in cortex of male hartley guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50283844
(CHEMBL99289 | N-tert-Butyl-2-[(3R,5S,7R)-5-(2-meth...)Show SMILES COc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(C)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C33H40N4O4/c1-22-12-11-15-25(18-22)34-32(40)35-27-19-24(26-16-9-10-17-29(26)41-5)20-28(23-13-7-6-8-14-23)37(31(27)39)21-30(38)36-33(2,3)4/h6-18,24,27-28H,19-21H2,1-5H3,(H,36,38)(H2,34,35,40)/t24-,27+,28+/m0/s1 | PDB
Reactome pathway
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TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-B (CCK-B) receptor in cortex of male hartley guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50283831
(CHEMBL319986 | N-tert-Butyl-2-[(3R,5S,7R)-7-(3-flu...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2cccc(F)c2)c2ccccc2)c1 Show InChI InChI=1S/C32H37FN4O3/c1-21-10-8-15-26(16-21)34-31(40)35-27-18-24(22-11-6-5-7-12-22)19-28(23-13-9-14-25(33)17-23)37(30(27)39)20-29(38)36-32(2,3)4/h5-17,24,27-28H,18-20H2,1-4H3,(H,36,38)(H2,34,35,40)/t24-,27+,28+/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-B (CCK-B) receptor in cortex of male hartley guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50008478
(CHEMBL142989 | [4-Oxo-3-(5-trifluoromethyl-benzoox...)Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3o2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O4/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta |
J Med Chem 35: 457-65 (1992)
BindingDB Entry DOI: 10.7270/Q28051K1 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50008442
(CHEMBL142790 | [3-(5,7-Dichloro-benzooxazol-2-ylme...)Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Cl)cc(Cl)c3o2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H11Cl2N3O4/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta |
J Med Chem 35: 457-65 (1992)
BindingDB Entry DOI: 10.7270/Q28051K1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM8296
(3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4| Show InChI InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25) | PDB
MMDB
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Reactome pathway
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PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human GSK-3alpha expressed in baculovirus infected insect Sf9 cells using GS-2 peptide as substrate assessed as... |
ACS Med Chem Lett 6: 548-52 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00044
BindingDB Entry DOI: 10.7270/Q2348N35 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50008486
(CHEMBL140199 | [4-Oxo-3-(4-phenyl-thiazol-2-ylmeth...)Show SMILES OC(=O)Cc1nn(Cc2nc(cs2)-c2ccccc2)c(=O)c2ccccc12 Show InChI InChI=1S/C20H15N3O3S/c24-19(25)10-16-14-8-4-5-9-15(14)20(26)23(22-16)11-18-21-17(12-27-18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,24,25) | PDB
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta |
J Med Chem 35: 457-65 (1992)
BindingDB Entry DOI: 10.7270/Q28051K1 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50283826
(CHEMBL327496 | N-tert-Butyl-2-{(3R,5S,7R)-3-[3-(3-...)Show SMILES Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(F)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C32H37FN4O3/c1-21-11-8-9-16-26(21)23-17-27(35-31(40)34-25-15-10-14-24(33)19-25)30(39)37(20-29(38)36-32(2,3)4)28(18-23)22-12-6-5-7-13-22/h5-16,19,23,27-28H,17-18,20H2,1-4H3,(H,36,38)(H2,34,35,40)/t23-,27+,28+/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-B (CCK-B) receptor in cortex of male hartley guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50008492
(CHEMBL344526 | [3-(7-Chloro-imidazo[1,2-a]pyridin-...)Show SMILES OC(=O)Cc1nn(Cc2cn3ccc(Cl)cc3n2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H13ClN4O3/c19-11-5-6-22-9-12(20-16(22)7-11)10-23-18(26)14-4-2-1-3-13(14)15(21-23)8-17(24)25/h1-7,9H,8,10H2,(H,24,25) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta |
J Med Chem 35: 457-65 (1992)
BindingDB Entry DOI: 10.7270/Q28051K1 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50283830
(2-{(3R,5S,7R)-3-[3-(3-Ethyl-phenyl)-ureido]-2-oxo-...)Show SMILES CCc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC3(C)CCCCC3)C2=O)c2ccccc2)c2ccccc2C)c1 Show InChI InChI=1S/C37H46N4O3/c1-4-27-15-13-18-30(22-27)38-36(44)39-32-23-29(31-19-10-9-14-26(31)2)24-33(28-16-7-5-8-17-28)41(35(32)43)25-34(42)40-37(3)20-11-6-12-21-37/h5,7-10,13-19,22,29,32-33H,4,6,11-12,20-21,23-25H2,1-3H3,(H,40,42)(H2,38,39,44)/t29-,32+,33+/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-B (CCK-B) receptor in cortex of male hartley guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50283836
(2-[(3R,5S,7R)-2-Oxo-7-phenyl-5-o-tolyl-3-(3-m-toly...)Show SMILES Cc1ccc(NC(=O)CN2[C@H](C[C@H](C[C@@H](NC(=O)Nc3cccc(C)c3)C2=O)c2ccccc2C)c2ccccc2)cc1 Show InChI InChI=1S/C36H38N4O3/c1-24-16-18-29(19-17-24)37-34(41)23-40-33(27-12-5-4-6-13-27)22-28(31-15-8-7-11-26(31)3)21-32(35(40)42)39-36(43)38-30-14-9-10-25(2)20-30/h4-20,28,32-33H,21-23H2,1-3H3,(H,37,41)(H2,38,39,43)/t28-,32+,33+/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-B (CCK-B) receptor in cortex of male hartley guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
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