Found 30 hits of Enzyme Inhibition Constant Data 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 |
|---|
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329853
(2-(3-fluorophenyl)-1H-imidazole-4,5-dicarboxylic a...)Show InChI InChI=1S/C11H7FN2O4/c12-6-3-1-2-5(4-6)9-13-7(10(15)16)8(14-9)11(17)18/h1-4H,(H,13,14)(H,15,16)(H,17,18) | 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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329873
(4-((2-amino-2-oxoethyl)(benzo[d]thiazol-2-ylmethyl...)Show SMILES NC(=O)CN(Cc1nc2ccccc2s1)C(=O)c1[nH]c(nc1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C21H17N5O4S/c22-15(27)10-26(11-16-23-13-8-4-5-9-14(13)31-16)20(28)17-18(21(29)30)25-19(24-17)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,22,27)(H,24,25)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329854
(4-(benzyl(phenethyl)carbamoyl)-2-phenyl-1H-imidazo...)Show SMILES OC(=O)c1nc([nH]c1C(=O)N(CCc1ccccc1)Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C26H23N3O3/c30-25(22-23(26(31)32)28-24(27-22)21-14-8-3-9-15-21)29(18-20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h1-15H,16-18H2,(H,27,28)(H,31,32) | 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 | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329855
(2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidaz...)Show SMILES OC(=O)c1nc([nH]c1C(=O)N(Cc1ccccc1)Cc1ccccc1)-c1cccc(Cl)c1 Show InChI InChI=1S/C25H20ClN3O3/c26-20-13-7-12-19(14-20)23-27-21(22(28-23)25(31)32)24(30)29(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,27,28)(H,31,32) | 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 | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329852
(2-phenyl-1H-imidazole-4,5-dicarboxylic acid | CHEM...)Show InChI InChI=1S/C11H8N2O4/c14-10(15)7-8(11(16)17)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15)(H,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329874
(4-(benzyl(methyl)carbamoyl)-2-(3-chlorophenyl)-1H-...)Show SMILES CN(Cc1ccccc1)C(=O)c1[nH]c(nc1C(O)=O)-c1cccc(Cl)c1 Show InChI InChI=1S/C19H16ClN3O3/c1-23(11-12-6-3-2-4-7-12)18(24)15-16(19(25)26)22-17(21-15)13-8-5-9-14(20)10-13/h2-10H,11H2,1H3,(H,21,22)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329870
(4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carb...)Show SMILES OC(=O)c1nc([nH]c1C(=O)N(Cc1ccccc1)Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H21N3O3/c29-24(21-22(25(30)31)27-23(26-21)20-14-8-3-9-15-20)28(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,26,27)(H,30,31) | 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 | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329872
(4-((2-amino-2-oxoethyl)(methyl)carbamoyl)-2-phenyl...)Show SMILES CN(CC(N)=O)C(=O)c1nc([nH]c1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C14H14N4O4/c1-18(7-9(15)19)13(20)10-11(14(21)22)17-12(16-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,15,19)(H,16,17)(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329869
(4-(benzyl(2-ethoxy-2-oxoethyl)carbamoyl)-2-phenyl-...)Show SMILES CCOC(=O)CN(Cc1ccccc1)C(=O)c1[nH]c(nc1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C22H21N3O5/c1-2-30-17(26)14-25(13-15-9-5-3-6-10-15)21(27)18-19(22(28)29)24-20(23-18)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,23,24)(H,28,29) | 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 | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329871
(4-((carboxymethyl)(methyl)carbamoyl)-2-phenyl-1H-i...)Show SMILES CN(CC(O)=O)C(=O)c1nc([nH]c1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C14H13N3O5/c1-17(7-9(18)19)13(20)10-11(14(21)22)16-12(15-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,16)(H,18,19)(H,21,22) | 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 | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329867
(4-(MORPHOLIN-4-YLCARBONYL)-2-PHENYL-1H-IMIDAZOLE-5...)Show InChI InChI=1S/C15H15N3O4/c19-14(18-6-8-22-9-7-18)11-12(15(20)21)17-13(16-11)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17)(H,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329861
(2-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxyl...)Show InChI InChI=1S/C12H9N3O2/c1-7-10(12(16)17)15-11(14-7)9-4-2-3-8(5-9)6-13/h2-5H,1H3,(H,14,15)(H,16,17) | 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 | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329862
(2-(3-CHLORO-PHENYL)-5-METHYL-1H-IMIDAZOLE-4-CARBOX...)Show InChI InChI=1S/C11H9ClN2O2/c1-6-9(11(15)16)14-10(13-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,13,14)(H,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| MMDB
Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329875
(2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-im...)Show SMILES OC(=O)c1[nH]c(nc1C(=O)N1CCOCC1)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H14ClN3O4/c16-10-3-1-2-9(8-10)13-17-11(12(18-13)15(21)22)14(20)19-4-6-23-7-5-19/h1-3,8H,4-7H2,(H,17,18)(H,21,22) | 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 | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329859
(5-methyl-2-(3-(trifluoromethyl)phenyl)-1H-imidazol...)Show InChI InChI=1S/C12H9F3N2O2/c1-6-9(11(18)19)17-10(16-6)7-3-2-4-8(5-7)12(13,14)15/h2-5H,1H3,(H,16,17)(H,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329868
(4-(benzyl(methyl)carbamoyl)-2-phenyl-1H-imidazole-...)Show SMILES CN(Cc1ccccc1)C(=O)c1[nH]c(nc1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C19H17N3O3/c1-22(12-13-8-4-2-5-9-13)18(23)15-16(19(24)25)21-17(20-15)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,20,21)(H,24,25) | 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 | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329860
(5-methyl-2-m-tolyl-1H-imidazole-4-carboxylic acid ...)Show InChI InChI=1S/C12H12N2O2/c1-7-4-3-5-9(6-7)11-13-8(2)10(14-11)12(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329864
(4-(methylcarbamoyl)-2-phenyl-1H-imidazole-5-carbox...)Show InChI InChI=1S/C12H11N3O3/c1-13-11(16)8-9(12(17)18)15-10(14-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,16)(H,14,15)(H,17,18) | 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 | 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329865
(4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxy...)Show InChI InChI=1S/C13H13N3O3/c1-2-14-12(17)9-10(13(18)19)16-11(15-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,17)(H,15,16)(H,18,19) | 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 | 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329857
(2-phenyl-1H-imidazole-4-carboxylic acid | CHEMBL12...)Show InChI InChI=1S/C10H8N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329866
(4-(benzylcarbamoyl)-2-phenyl-1H-imidazole-5-carbox...)Show InChI InChI=1S/C18H15N3O3/c22-17(19-11-12-7-3-1-4-8-12)14-15(18(23)24)21-16(20-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,22)(H,20,21)(H,23,24) | 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 | 2.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329863
(2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carbox...)Show InChI InChI=1S/C12H12N2O3/c1-7-10(12(15)16)14-11(13-7)8-4-3-5-9(6-8)17-2/h3-6H,1-2H3,(H,13,14)(H,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329858
(5-methyl-2-phenyl-1H-imidazole-4-carboxylic acid |...)Show InChI InChI=1S/C11H10N2O2/c1-7-9(11(14)15)13-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
Article
PubMed
| n/a | n/a | 3.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329856
(3-(pyridin-2-yl)-1H-pyrazole-5-carboxylic acid | 3...)Show InChI InChI=1S/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6/h1-5H,(H,11,12)(H,13,14) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
Article
PubMed
| n/a | n/a | 7.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50175430
(5-(2-METHOXYPHENYL)-2-FUROIC ACID | 5-(2-methoxyph...)Show InChI InChI=1S/C12H10O4/c1-15-9-5-3-2-4-8(9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329853
(2-(3-fluorophenyl)-1H-imidazole-4,5-dicarboxylic a...)Show InChI InChI=1S/C11H7FN2O4/c12-6-3-1-2-5(4-6)9-13-7(10(15)16)8(14-9)11(17)18/h1-4H,(H,13,14)(H,15,16)(H,17,18) | 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 | n/a | 520 | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to Pin1 by isothermal calorimetry |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329852
(2-phenyl-1H-imidazole-4,5-dicarboxylic acid | CHEM...)Show InChI InChI=1S/C11H8N2O4/c14-10(15)7-8(11(16)17)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15)(H,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to Pin1 by isothermal calorimetry |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329854
(4-(benzyl(phenethyl)carbamoyl)-2-phenyl-1H-imidazo...)Show SMILES OC(=O)c1nc([nH]c1C(=O)N(CCc1ccccc1)Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C26H23N3O3/c30-25(22-23(26(31)32)28-24(27-22)21-14-8-3-9-15-21)29(18-20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h1-15H,16-18H2,(H,27,28)(H,31,32) | 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 | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1-mediated cyclin D1 expression in serum starved human PC3 cells |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329854
(4-(benzyl(phenethyl)carbamoyl)-2-phenyl-1H-imidazo...)Show SMILES OC(=O)c1nc([nH]c1C(=O)N(CCc1ccccc1)Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C26H23N3O3/c30-25(22-23(26(31)32)28-24(27-22)21-14-8-3-9-15-21)29(18-20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h1-15H,16-18H2,(H,27,28)(H,31,32) | 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 | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 in serum starved human PC3 cells assessed as reduction in insulin-induced p7)S6 kinase phosphorylation |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329855
(2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidaz...)Show SMILES OC(=O)c1nc([nH]c1C(=O)N(Cc1ccccc1)Cc1ccccc1)-c1cccc(Cl)c1 Show InChI InChI=1S/C25H20ClN3O3/c26-20-13-7-12-19(14-20)23-27-21(22(28-23)25(31)32)24(30)29(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,27,28)(H,31,32) | 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 | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to Pin1 by isothermal calorimetry |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this
Ligand-Target Pair | |
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