Found 108 hits with Last Name = 'vaal' and Initial = 'm' 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 FKBP1A
(Homo sapiens (Human)) | BDBM50116632
(1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-car...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccc2ccccc2c1 Show InChI InChI=1S/C25H31NO3S/c1-4-25(2,3)22(27)23(28)26-15-7-12-21(26)24(29)30-16-8-9-18-13-14-19-10-5-6-11-20(19)17-18/h5-6,10-11,13-14,17,21H,4,7-9,12,15-16H2,1-3H3/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against FK506 binding protein 12 |
J Med Chem 45: 3549-57 (2002)
BindingDB Entry DOI: 10.7270/Q2416WC5 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50116633
(1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-car...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H33NO3S/c1-4-27(2,3)24(29)25(30)28-18-11-16-23(28)26(31)32-19-17-22(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,22-23H,4,11,16-19H2,1-3H3/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against FK506 binding protein 12 |
J Med Chem 45: 3549-57 (2002)
BindingDB Entry DOI: 10.7270/Q2416WC5 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM23334
(3-(pyridin-3-yl)propyl (2S)-1-(3,3-dimethyl-2-oxop...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 |r| Show InChI InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against FK506 binding protein 12 |
J Med Chem 45: 3549-57 (2002)
BindingDB Entry DOI: 10.7270/Q2416WC5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50116636
(1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-car...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1cccnc1 Show InChI InChI=1S/C20H28N2O3S/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against FK506 binding protein 12 |
J Med Chem 45: 3549-57 (2002)
BindingDB Entry DOI: 10.7270/Q2416WC5 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50116630
(1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-car...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccc(OC)cc1 Show InChI InChI=1S/C22H31NO4S/c1-5-22(2,3)19(24)20(25)23-14-6-9-18(23)21(26)28-15-7-8-16-10-12-17(27-4)13-11-16/h10-13,18H,5-9,14-15H2,1-4H3/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against FK506 binding protein 12 |
J Med Chem 45: 3549-57 (2002)
BindingDB Entry DOI: 10.7270/Q2416WC5 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50116631
(1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-car...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccccc1 Show InChI InChI=1S/C21H29NO3S/c1-4-21(2,3)18(23)19(24)22-14-8-13-17(22)20(25)26-15-9-12-16-10-6-5-7-11-16/h5-7,10-11,17H,4,8-9,12-15H2,1-3H3/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against FK506 binding protein 12 |
J Med Chem 45: 3549-57 (2002)
BindingDB Entry DOI: 10.7270/Q2416WC5 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113058
(1-(Adamantan-1-ylcarbamoyl)-piperidine-2-carboxyli...)Show SMILES COc1ccc(CCCOC(=O)C2CCCCN2C(=O)NC23CC4CC(CC(C4)C2)C3)c(OC)c1 |TLB:24:25:29:23.22.28,THB:24:23:29:25.30.26,26:25:22:27.29.28,26:27:22:25.30.24| Show InChI InChI=1S/C28H40N2O5/c1-33-23-9-8-22(25(15-23)34-2)6-5-11-35-26(31)24-7-3-4-10-30(24)27(32)29-28-16-19-12-20(17-28)14-21(13-19)18-28/h8-9,15,19-21,24H,3-7,10-14,16-18H2,1-2H3,(H,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50116635
(1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-car...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCc1ccccc1 Show InChI InChI=1S/C20H27NO3S/c1-4-20(2,3)17(22)18(23)21-13-8-11-16(21)19(24)25-14-12-15-9-6-5-7-10-15/h5-7,9-10,16H,4,8,11-14H2,1-3H3/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 12.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against FK506 binding protein 12 |
J Med Chem 45: 3549-57 (2002)
BindingDB Entry DOI: 10.7270/Q2416WC5 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113095
((S)-1-Phenylmethanesulfonyl-pyrrolidine-2-carboxyl...)Show SMILES COc1ccc(CCCOC(=O)[C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C22H27NO5S/c1-27-20-13-11-18(12-14-20)9-6-16-28-22(24)21-10-5-15-23(21)29(25,26)17-19-7-3-2-4-8-19/h2-4,7-8,11-14,21H,5-6,9-10,15-17H2,1H3/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113063
(1-(Adamantan-1-ylcarbamoyl)-piperidine-2-carboxyli...)Show SMILES COc1ccc(CCCOC(=O)C2CCCCN2C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC |TLB:24:25:29:23.22.28,THB:24:23:29:25.30.26,26:27:22:25.30.24,26:25:22:27.29.28| Show InChI InChI=1S/C28H40N2O5/c1-33-24-9-8-19(15-25(24)34-2)6-5-11-35-26(31)23-7-3-4-10-30(23)27(32)29-28-16-20-12-21(17-28)14-22(13-20)18-28/h8-9,15,20-23H,3-7,10-14,16-18H2,1-2H3,(H,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113077
(1-Phenylmethanesulfonyl-piperidine-2-carboxylic ac...)Show SMILES COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc1OC Show InChI InChI=1S/C24H31NO6S/c1-29-22-14-13-19(17-23(22)30-2)11-8-16-31-24(26)21-12-6-7-15-25(21)32(27,28)18-20-9-4-3-5-10-20/h3-5,9-10,13-14,17,21H,6-8,11-12,15-16,18H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50116637
(1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)SCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H35NO3S/c1-4-28(2,3)25(30)26(31)29-19-12-11-17-24(29)27(32)33-20-18-23(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,13-16,23-24H,4,11-12,17-20H2,1-3H3/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against FK506 binding protein 12 |
J Med Chem 45: 3549-57 (2002)
BindingDB Entry DOI: 10.7270/Q2416WC5 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113070
((S)-1-Cyclohexylthiocarbamoyl-pyrrolidine-2-carbox...)Show SMILES COc1ccc(CCCOC(=O)[C@@H]2CCCN2C(=S)NC2CCCCC2)cc1OC Show InChI InChI=1S/C23H34N2O4S/c1-27-20-13-12-17(16-21(20)28-2)8-7-15-29-22(26)19-11-6-14-25(19)23(30)24-18-9-4-3-5-10-18/h12-13,16,18-19H,3-11,14-15H2,1-2H3,(H,24,30)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113056
(1-Phenylmethanesulfonyl-piperidine-2-carboxylic ac...)Show SMILES COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C23H29NO5S/c1-28-21-14-12-19(13-15-21)10-7-17-29-23(25)22-11-5-6-16-24(22)30(26,27)18-20-8-3-2-4-9-20/h2-4,8-9,12-15,22H,5-7,10-11,16-18H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113071
(1-Phenylmethanesulfonyl-piperidine-2-carboxylic ac...)Show SMILES COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc(OC)c1 Show InChI InChI=1S/C24H31NO6S/c1-29-21-15-20(16-22(17-21)30-2)11-8-14-31-24(26)23-12-6-7-13-25(23)32(27,28)18-19-9-4-3-5-10-19/h3-5,9-10,15-17,23H,6-8,11-14,18H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113092
(1-Benzenesulfonyl-piperidine-2-carboxylic acid 3-(...)Show SMILES COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1OC Show InChI InChI=1S/C23H29NO6S/c1-28-21-14-13-18(17-22(21)29-2)9-8-16-30-23(25)20-12-6-7-15-24(20)31(26,27)19-10-4-3-5-11-19/h3-5,10-11,13-14,17,20H,6-9,12,15-16H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113091
(1-(Toluene-4-sulfonyl)-piperidine-2-carboxylic aci...)Show SMILES COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C23H29NO5S/c1-18-8-14-21(15-9-18)30(26,27)24-16-4-3-7-22(24)23(25)29-17-5-6-19-10-12-20(28-2)13-11-19/h8-15,22H,3-7,16-17H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113072
(1-Benzenesulfonyl-piperidine-2-carboxylic acid 3-(...)Show SMILES COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C22H27NO5S/c1-27-19-14-12-18(13-15-19)8-7-17-28-22(24)21-11-5-6-16-23(21)29(25,26)20-9-3-2-4-10-20/h2-4,9-10,12-15,21H,5-8,11,16-17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113078
(1-Phenylmethanesulfonyl-piperidine-2-carboxylic ac...)Show SMILES Fc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C22H26FNO4S/c23-20-13-11-18(12-14-20)9-6-16-28-22(25)21-10-4-5-15-24(21)29(26,27)17-19-7-2-1-3-8-19/h1-3,7-8,11-14,21H,4-6,9-10,15-17H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113088
(1-(Toluene-4-sulfonyl)-piperidine-2-carboxylic aci...)Show SMILES COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1 Show InChI InChI=1S/C24H31NO6S/c1-18-9-11-22(12-10-18)32(27,28)25-13-5-4-8-23(25)24(26)31-14-6-7-19-15-20(29-2)17-21(16-19)30-3/h9-12,15-17,23H,4-8,13-14H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50116629
(1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H36N2O3/c1-4-28(2,3)25(31)27(33)30-20-12-11-17-24(30)26(32)29-19-18-23(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,13-16,23-24H,4,11-12,17-20H2,1-3H3,(H,29,32)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against FK506 binding protein 12 |
J Med Chem 45: 3549-57 (2002)
BindingDB Entry DOI: 10.7270/Q2416WC5 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113086
(1-Phenylmethanesulfonyl-piperidine-2-carboxylic ac...)Show SMILES Clc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C22H26ClNO4S/c23-20-13-11-18(12-14-20)9-6-16-28-22(25)21-10-4-5-15-24(21)29(26,27)17-19-7-2-1-3-8-19/h1-3,7-8,11-14,21H,4-6,9-10,15-17H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113065
((S)-1-(Adamantan-1-ylcarbamoyl)-pyrrolidine-2-carb...)Show SMILES O=C(OCCCCc1ccccc1)[C@@H]1CCCN1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:24:25:29:23.22.28,THB:24:23:29:25.30.26| Show InChI InChI=1S/C26H36N2O3/c29-24(31-12-5-4-9-19-7-2-1-3-8-19)23-10-6-11-28(23)25(30)27-26-16-20-13-21(17-26)15-22(14-20)18-26/h1-3,7-8,20-23H,4-6,9-18H2,(H,27,30)/t20-,21+,22-,23-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113076
(1-Benzenesulfonyl-piperidine-2-carboxylic acid 3-(...)Show SMILES COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C23H29NO6S/c1-28-19-15-18(16-20(17-19)29-2)9-8-14-30-23(25)22-12-6-7-13-24(22)31(26,27)21-10-4-3-5-11-21/h3-5,10-11,15-17,22H,6-9,12-14H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113059
(1-Benzenesulfonyl-piperidine-2-carboxylic acid 3-(...)Show SMILES Fc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C21H24FNO4S/c22-18-13-11-17(12-14-18)7-6-16-27-21(24)20-10-4-5-15-23(20)28(25,26)19-8-2-1-3-9-19/h1-3,8-9,11-14,20H,4-7,10,15-16H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50116634
(1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-car...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NCCCc1cccnc1 Show InChI InChI=1S/C20H29N3O3/c1-4-20(2,3)17(24)19(26)23-13-7-10-16(23)18(25)22-12-6-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3,(H,22,25)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against FK506 binding protein 12 |
J Med Chem 45: 3549-57 (2002)
BindingDB Entry DOI: 10.7270/Q2416WC5 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113089
((S)-1-Phenylcarbamoyl-pyrrolidine-2-carboxylic aci...)Show InChI InChI=1S/C21H24N2O3/c24-20(26-16-8-11-17-9-3-1-4-10-17)19-14-7-15-23(19)21(25)22-18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2,(H,22,25)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113082
((S)-1-(Adamantan-1-ylthiocarbamoyl)-pyrrolidine-2-...)Show SMILES Fc1ccc(CCCOC(=O)[C@@H]2CCCN2C(=S)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24| Show InChI InChI=1S/C25H33FN2O2S/c26-21-7-5-17(6-8-21)3-2-10-30-23(29)22-4-1-9-28(22)24(31)27-25-14-18-11-19(15-25)13-20(12-18)16-25/h5-8,18-20,22H,1-4,9-16H2,(H,27,31)/t18-,19+,20-,22-,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113094
((S)-1-(Adamantan-1-ylcarbamoyl)-pyrrolidine-2-carb...)Show SMILES O=C(OCCCc1ccccc1)[C@@H]1CCCN1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:23:24:28:22.21.27,THB:23:22:28:24.29.25| Show InChI InChI=1S/C25H34N2O3/c28-23(30-11-5-8-18-6-2-1-3-7-18)22-9-4-10-27(22)24(29)26-25-15-19-12-20(16-25)14-21(13-19)17-25/h1-3,6-7,19-22H,4-5,8-17H2,(H,26,29)/t19-,20+,21-,22-,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113103
(1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-car...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C21H30N2O3/c1-4-21(2,3)18(24)20(26)23-15-9-13-17(23)19(25)22-14-8-12-16-10-6-5-7-11-16/h5-7,10-11,17H,4,8-9,12-15H2,1-3H3,(H,22,25)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against FK506 binding protein 12 |
J Med Chem 45: 3549-57 (2002)
BindingDB Entry DOI: 10.7270/Q2416WC5 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113061
((S)-1-(Adamantan-1-ylcarbamoyl)-pyrrolidine-2-carb...)Show SMILES Fc1ccc(CCCOC(=O)[C@@H]2CCCN2C(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24| Show InChI InChI=1S/C25H33FN2O3/c26-21-7-5-17(6-8-21)3-2-10-31-23(29)22-4-1-9-28(22)24(30)27-25-14-18-11-19(15-25)13-20(12-18)16-25/h5-8,18-20,22H,1-4,9-16H2,(H,27,30)/t18-,19+,20-,22-,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113062
((S)-1-Phenylcarbamoyl-pyrrolidine-2-carboxylic aci...)Show InChI InChI=1S/C20H22N2O3/c23-19(25-15-13-16-8-3-1-4-9-16)18-12-7-14-22(18)20(24)21-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,21,24)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113073
((S)-1-(Adamantan-1-ylcarbamoyl)-pyrrolidine-2-carb...)Show SMILES O=C(OCCc1ccccc1)[C@@H]1CCCN1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24| Show InChI InChI=1S/C24H32N2O3/c27-22(29-10-8-17-5-2-1-3-6-17)21-7-4-9-26(21)23(28)25-24-14-18-11-19(15-24)13-20(12-18)16-24/h1-3,5-6,18-21H,4,7-16H2,(H,25,28)/t18-,19+,20-,21-,24?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113080
(1-(Toluene-4-sulfonyl)-piperidine-2-carboxylic aci...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)OCCCc1ccc(F)cc1 Show InChI InChI=1S/C22H26FNO4S/c1-17-7-13-20(14-8-17)29(26,27)24-15-3-2-6-21(24)22(25)28-16-4-5-18-9-11-19(23)12-10-18/h7-14,21H,2-6,15-16H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113085
((S)-1-(Adamantan-1-ylthiocarbamoyl)-pyrrolidine-2-...)Show SMILES Clc1ccc(CCCOC(=O)[C@@H]2CCCN2C(=S)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24| Show InChI InChI=1S/C25H33ClN2O2S/c26-21-7-5-17(6-8-21)3-2-10-30-23(29)22-4-1-9-28(22)24(31)27-25-14-18-11-19(15-25)13-20(12-18)16-25/h5-8,18-20,22H,1-4,9-16H2,(H,27,31)/t18-,19+,20-,22-,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113081
((S)-1-(Adamantan-1-ylcarbamoyl)-pyrrolidine-2-carb...)Show SMILES O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:21:22:26:20.19.25,THB:21:20:26:22.27.23| Show InChI InChI=1S/C23H30N2O3/c26-21(28-15-16-5-2-1-3-6-16)20-7-4-8-25(20)22(27)24-23-12-17-9-18(13-23)11-19(10-17)14-23/h1-3,5-6,17-20H,4,7-15H2,(H,24,27)/t17-,18+,19-,20-,23?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113093
((S)-1-(Adamantan-1-ylcarbamoyl)-pyrrolidine-2-carb...)Show SMILES Clc1ccc(CCCOC(=O)[C@@H]2CCCN2C(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24| Show InChI InChI=1S/C25H33ClN2O3/c26-21-7-5-17(6-8-21)3-2-10-31-23(29)22-4-1-9-28(22)24(30)27-25-14-18-11-19(15-25)13-20(12-18)16-25/h5-8,18-20,22H,1-4,9-16H2,(H,27,30)/t18-,19+,20-,22-,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113057
(1-Phenylmethanesulfonyl-piperidine-2-carboxylic ac...)Show SMILES Brc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C22H26BrNO4S/c23-20-13-11-18(12-14-20)9-6-16-28-22(25)21-10-4-5-15-24(21)29(26,27)17-19-7-2-1-3-8-19/h1-3,7-8,11-14,21H,4-6,9-10,15-17H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113084
((S)-1-(Adamantan-1-ylcarbamoyl)-pyrrolidine-2-carb...)Show SMILES Brc1ccc(CCCOC(=O)[C@@H]2CCCN2C(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24| Show InChI InChI=1S/C25H33BrN2O3/c26-21-7-5-17(6-8-21)3-2-10-31-23(29)22-4-1-9-28(22)24(30)27-25-14-18-11-19(15-25)13-20(12-18)16-25/h5-8,18-20,22H,1-4,9-16H2,(H,27,30)/t18-,19+,20-,22-,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113069
(1-Benzenesulfonyl-piperidine-2-carboxylic acid 3-(...)Show SMILES Clc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C21H24ClNO4S/c22-18-13-11-17(12-14-18)7-6-16-27-21(24)20-10-4-5-15-23(20)28(25,26)19-8-2-1-3-9-19/h1-3,8-9,11-14,20H,4-7,10,15-16H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113067
(1-(Toluene-4-sulfonyl)-piperidine-2-carboxylic aci...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)OCCCc1ccc(Cl)cc1 Show InChI InChI=1S/C22H26ClNO4S/c1-17-7-13-20(14-8-17)29(26,27)24-15-3-2-6-21(24)22(25)28-16-4-5-18-9-11-19(23)12-10-18/h7-14,21H,2-6,15-16H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113060
((S)-1-((R)-1-Phenyl-ethylcarbamoyl)-pyrrolidine-2-...)Show SMILES C[C@@H](NC(=O)N1CCC[C@H]1C(=O)OCCCc1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C23H27FN2O3/c1-17(19-8-3-2-4-9-19)25-23(28)26-15-5-10-21(26)22(27)29-16-6-7-18-11-13-20(24)14-12-18/h2-4,8-9,11-14,17,21H,5-7,10,15-16H2,1H3,(H,25,28)/t17-,21+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113087
((S)-1-(Adamantan-1-ylthiocarbamoyl)-pyrrolidine-2-...)Show SMILES O=C(OCCCc1ccccc1)[C@@H]1CCCN1C(=S)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:23:24:28:22.21.27,THB:23:22:28:24.29.25| Show InChI InChI=1S/C25H34N2O2S/c28-23(29-11-5-8-18-6-2-1-3-7-18)22-9-4-10-27(22)24(30)26-25-15-19-12-20(16-25)14-21(13-19)17-25/h1-3,6-7,19-22H,4-5,8-17H2,(H,26,30)/t19-,20+,21-,22-,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113074
((S)-1-((R)-1-Phenyl-ethylcarbamoyl)-pyrrolidine-2-...)Show SMILES C[C@@H](NC(=O)N1CCC[C@H]1C(=O)OCCCc1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C23H27ClN2O3/c1-17(19-8-3-2-4-9-19)25-23(28)26-15-5-10-21(26)22(27)29-16-6-7-18-11-13-20(24)14-12-18/h2-4,8-9,11-14,17,21H,5-7,10,15-16H2,1H3,(H,25,28)/t17-,21+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113083
((S)-1-(Adamantan-1-ylthiocarbamoyl)-pyrrolidine-2-...)Show SMILES Brc1ccc(CCCOC(=O)[C@@H]2CCCN2C(=S)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24| Show InChI InChI=1S/C25H33BrN2O2S/c26-21-7-5-17(6-8-21)3-2-10-30-23(29)22-4-1-9-28(22)24(31)27-25-14-18-11-19(15-25)13-20(12-18)16-25/h5-8,18-20,22H,1-4,9-16H2,(H,27,31)/t18-,19+,20-,22-,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113068
((S)-1-(Adamantan-1-ylthiocarbamoyl)-pyrrolidine-2-...)Show SMILES O=C(OCCCCc1ccccc1)[C@@H]1CCCN1C(=S)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:24:25:29:23.22.28,THB:24:23:29:25.30.26| Show InChI InChI=1S/C26H36N2O2S/c29-24(30-12-5-4-9-19-7-2-1-3-8-19)23-10-6-11-28(23)25(31)27-26-16-20-13-21(17-26)15-22(14-20)18-26/h1-3,7-8,20-23H,4-6,9-18H2,(H,27,31)/t20-,21+,22-,23-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113066
(1-Benzenesulfonyl-piperidine-2-carboxylic acid 3-(...)Show SMILES Brc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C21H24BrNO4S/c22-18-13-11-17(12-14-18)7-6-16-27-21(24)20-10-4-5-15-23(20)28(25,26)19-8-2-1-3-9-19/h1-3,8-9,11-14,20H,4-7,10,15-16H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113090
((S)-1-((R)-1-Phenyl-ethylcarbamoyl)-pyrrolidine-2-...)Show SMILES C[C@@H](NC(=O)N1CCC[C@H]1C(=O)OCCCc1ccc(Br)cc1)c1ccccc1 Show InChI InChI=1S/C23H27BrN2O3/c1-17(19-8-3-2-4-9-19)25-23(28)26-15-5-10-21(26)22(27)29-16-6-7-18-11-13-20(24)14-12-18/h2-4,8-9,11-14,17,21H,5-7,10,15-16H2,1H3,(H,25,28)/t17-,21+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113075
((S)-1-(Adamantan-1-ylthiocarbamoyl)-pyrrolidine-2-...)Show SMILES O=C(OCc1ccccc1)[C@@H]1CCCN1C(=S)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:21:22:26:20.19.25,THB:21:20:26:22.27.23| Show InChI InChI=1S/C23H30N2O2S/c26-21(27-15-16-5-2-1-3-6-16)20-7-4-8-25(20)22(28)24-23-12-17-9-18(13-23)11-19(10-17)14-23/h1-3,5-6,17-20H,4,7-15H2,(H,24,28)/t17-,18+,19-,20-,23?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50113064
((S)-1-Phenylcarbamoyl-pyrrolidine-2-carboxylic aci...)Show InChI InChI=1S/C19H20N2O3/c22-18(24-14-15-8-3-1-4-9-15)17-12-7-13-21(17)19(23)20-16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H,20,23)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1421-8 (2002)
BindingDB Entry DOI: 10.7270/Q279441H |
More data for this
Ligand-Target Pair | |
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