Found 145 hits with Last Name = 'valentine' and Initial = 'h' 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)) | 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
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Ability to inhibit peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1429-33 (2002)
BindingDB Entry DOI: 10.7270/Q23J3C9S |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50052513
(8-Methyl-3-(2-oxo-propyl)-1-phenethyl-1,3,8-triaza...)Show InChI InChI=1S/C19H27N3O2/c1-16(23)14-21-15-22(11-8-17-6-4-3-5-7-17)19(18(21)24)9-12-20(2)13-10-19/h3-7H,8-15H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Scios Nova, Inc.
Curated by ChEMBL
| Assay Description
Affinity to human Bradykinin receptor B2 in CHO cell membranes determined by displacement of [3H]-NPC 17731 |
J Med Chem 39: 3169-73 (1996)
Article DOI: 10.1021/jm950676i
BindingDB Entry DOI: 10.7270/Q2C24VH9 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50385393
(CHEMBL2036415)Show SMILES CN1C[C@@H]2CN(C[C@H]12)c1ccc(nc1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C19H20N4/c1-22-10-15-11-23(12-19(15)22)16-3-5-18(21-9-16)13-2-4-17-14(8-13)6-7-20-17/h2-9,15,19-20H,10-12H2,1H3/t15-,19+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]A585539 from alpha7 nAChR from rat brain membrane with no cerebellum/cortex |
Bioorg Med Chem 20: 3698-702 (2012)
Article DOI: 10.1016/j.bmc.2012.04.056
BindingDB Entry DOI: 10.7270/Q22R3SQW |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50052512
(1-Cyclohexyl-8-methyl-3-(2-oxo-propyl)-1,3,8-triaz...)Show InChI InChI=1S/C17H29N3O2/c1-14(21)12-19-13-20(15-6-4-3-5-7-15)17(16(19)22)8-10-18(2)11-9-17/h15H,3-13H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Scios Nova, Inc.
Curated by ChEMBL
| Assay Description
Affinity to human Bradykinin receptor B2 in CHO cell membranes determined by displacement of [3H]-NPC 17731 |
J Med Chem 39: 3169-73 (1996)
Article DOI: 10.1021/jm950676i
BindingDB Entry DOI: 10.7270/Q2C24VH9 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50385392
(CHEMBL2036416)Show SMILES CN1C[C@H]2CN(C[C@@H]12)c1ccc(nc1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C19H20N4/c1-22-10-15-11-23(12-19(15)22)16-3-5-18(21-9-16)13-2-4-17-14(8-13)6-7-20-17/h2-9,15,19-20H,10-12H2,1H3/t15-,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]A585539 from alpha7 nAChR from rat brain membrane with no cerebellum/cortex |
Bioorg Med Chem 20: 3698-702 (2012)
Article DOI: 10.1016/j.bmc.2012.04.056
BindingDB Entry DOI: 10.7270/Q22R3SQW |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50326618
(CHEMBL1254015 | [11C]-3-(2-methoxyethyl)-4,5-dimet...)Show SMILES COCCn1c(C)c(C)sc1=NC(=O)C1C(C)(C)C1(C)C |w:11.12| Show InChI InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
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| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins Medical Institutions
Curated by ChEMBL
| Assay Description
Agonist activity at CB2 receptor |
Bioorg Med Chem 18: 5202-7 (2010)
Article DOI: 10.1016/j.bmc.2010.05.058
BindingDB Entry DOI: 10.7270/Q2668F56 |
More data for this
Ligand-Target Pair | |
Peptidylprolyl isomerase
(Gallus gallus) | BDBM50068597
(1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piper...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C36H43NO7/c1-41-31-24-28(25-32(42-2)34(31)43-3)33(38)35(39)37-23-11-10-22-30(37)36(40)44-29(20-12-18-26-14-6-4-7-15-26)21-13-19-27-16-8-5-9-17-27/h4-9,14-17,24-25,29-30H,10-13,18-23H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of binding to FKBP12 receptor |
Bioorg Med Chem Lett 7: 1785-1790 (1997)
Article DOI: 10.1016/S0960-894X(97)00304-1
BindingDB Entry DOI: 10.7270/Q2PZ58TF |
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 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Ability to inhibit peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1429-33 (2002)
BindingDB Entry DOI: 10.7270/Q23J3C9S |
More data for this
Ligand-Target Pair | |
Peptidylprolyl isomerase
(Gallus gallus) | BDBM50068564
(1-(3,3-Dimethyl-2-oxo-butyryl)-piperidine-2-carbox...)Show SMILES CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1ccccc1 Show InChI InChI=1S/C21H29NO4/c1-21(2,3)18(23)19(24)22-14-8-7-13-17(22)20(25)26-15-9-12-16-10-5-4-6-11-16/h4-6,10-11,17H,7-9,12-15H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of binding to FKBP12 receptor |
Bioorg Med Chem Lett 7: 1785-1790 (1997)
Article DOI: 10.1016/S0960-894X(97)00304-1
BindingDB Entry DOI: 10.7270/Q2PZ58TF |
More data for this
Ligand-Target Pair | |
Peptidylprolyl isomerase
(Gallus gallus) | BDBM50068573
(1-(2-Oxo-2-phenyl-acetyl)-piperidine-2-carboxylic ...)Show SMILES O=C(OC(CCCc1ccccc1)CCCc1ccccc1)C1CCCCN1C(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C33H37NO4/c35-31(28-20-8-3-9-21-28)32(36)34-25-11-10-24-30(34)33(37)38-29(22-12-18-26-14-4-1-5-15-26)23-13-19-27-16-6-2-7-17-27/h1-9,14-17,20-21,29-30H,10-13,18-19,22-25H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of binding to FKBP12 receptor |
Bioorg Med Chem Lett 7: 1785-1790 (1997)
Article DOI: 10.1016/S0960-894X(97)00304-1
BindingDB Entry DOI: 10.7270/Q2PZ58TF |
More data for this
Ligand-Target Pair | |
Peptidylprolyl isomerase
(Gallus gallus) | BDBM50068582
(1-(3,3-Dimethyl-2-oxo-butyryl)-piperidine-2-carbox...)Show SMILES CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C31H41NO4/c1-31(2,3)28(33)29(34)32-23-11-10-22-27(32)30(35)36-26(20-12-18-24-14-6-4-7-15-24)21-13-19-25-16-8-5-9-17-25/h4-9,14-17,26-27H,10-13,18-23H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of binding to FKBP12 receptor |
Bioorg Med Chem Lett 7: 1785-1790 (1997)
Article DOI: 10.1016/S0960-894X(97)00304-1
BindingDB Entry DOI: 10.7270/Q2PZ58TF |
More data for this
Ligand-Target Pair | |
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 | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50052511
(8-Methyl-3-(2-oxo-propyl)-1-p-tolyl-1,3,8-triaza-s...)Show InChI InChI=1S/C18H25N3O2/c1-14-4-6-16(7-5-14)21-13-20(12-15(2)22)17(23)18(21)8-10-19(3)11-9-18/h4-7H,8-13H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Scios Nova, Inc.
Curated by ChEMBL
| Assay Description
Affinity to human Bradykinin receptor B2 in CHO cell membranes determined by displacement of [3H]-NPC 17731 |
J Med Chem 39: 3169-73 (1996)
Article DOI: 10.1021/jm950676i
BindingDB Entry DOI: 10.7270/Q2C24VH9 |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50052509
(1-Cyclohexylmethyl-8-methyl-3-(2-oxo-propyl)-1,3,8...)Show InChI InChI=1S/C18H31N3O2/c1-15(22)12-20-14-21(13-16-6-4-3-5-7-16)18(17(20)23)8-10-19(2)11-9-18/h16H,3-14H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Scios Nova, Inc.
Curated by ChEMBL
| Assay Description
Affinity to human Bradykinin receptor B2 in CHO cell membranes determined by displacement of [3H]-NPC 17731 |
J Med Chem 39: 3169-73 (1996)
Article DOI: 10.1021/jm950676i
BindingDB Entry DOI: 10.7270/Q2C24VH9 |
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
(Bos taurus (bovine)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| Purchase
CHEMBL
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MCE
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| MMDB
PDB
Article
PubMed
| 7.5 | -42.5 | n/a | n/a | n/a | n/a | n/a | 8.0 | 0 |
Guilford Pharmaceuticals, Inc.
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 45: 3558-68 (2002)
Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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) |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50052514
(8-Methyl-3-(2-oxo-propyl)-1-phenyl-1,3,8-triaza-sp...)Show InChI InChI=1S/C17H23N3O2/c1-14(21)12-19-13-20(15-6-4-3-5-7-15)17(16(19)22)8-10-18(2)11-9-17/h3-7H,8-13H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Scios Nova, Inc.
Curated by ChEMBL
| Assay Description
Affinity to human Bradykinin receptor B2 in CHO cell membranes determined by displacement of [3H]-NPC 17731 |
J Med Chem 39: 3169-73 (1996)
Article DOI: 10.1021/jm950676i
BindingDB Entry DOI: 10.7270/Q2C24VH9 |
More data for this
Ligand-Target Pair | |
Peptidylprolyl isomerase
(Gallus gallus) | BDBM50068610
(1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H35NO4/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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of binding to FKBP12 receptor |
Bioorg Med Chem Lett 7: 1785-1790 (1997)
Article DOI: 10.1016/S0960-894X(97)00304-1
BindingDB Entry DOI: 10.7270/Q2PZ58TF |
More data for this
Ligand-Target Pair | |
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 | |
Peptidylprolyl isomerase
(Gallus gallus) | BDBM50289698
(1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCc1ccc(OC)cc1 Show InChI InChI=1S/C32H43NO5/c1-5-32(2,3)29(34)30(35)33-23-10-9-16-28(33)31(36)38-27(15-11-14-24-12-7-6-8-13-24)22-19-25-17-20-26(37-4)21-18-25/h6-8,12-13,17-18,20-21,27-28H,5,9-11,14-16,19,22-23H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of binding to FKBP12 receptor |
Bioorg Med Chem Lett 7: 1785-1790 (1997)
Article DOI: 10.1016/S0960-894X(97)00304-1
BindingDB Entry DOI: 10.7270/Q2PZ58TF |
More data for this
Ligand-Target Pair | |
Peptidylprolyl isomerase
(Gallus gallus) | BDBM50068594
(1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccccc1)CCc1ccccc1 Show InChI InChI=1S/C30H39NO4/c1-4-30(2,3)27(32)28(33)31-22-12-11-17-26(31)29(34)35-25(20-18-23-13-7-5-8-14-23)21-19-24-15-9-6-10-16-24/h5-10,13-16,25-26H,4,11-12,17-22H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of binding to FKBP12 receptor |
Bioorg Med Chem Lett 7: 1785-1790 (1997)
Article DOI: 10.1016/S0960-894X(97)00304-1
BindingDB Entry DOI: 10.7270/Q2PZ58TF |
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 | |
Peptidylprolyl isomerase
(Gallus gallus) | BDBM50068591
(1-(3,3-Dimethyl-2-oxo-butyryl)-piperidine-2-carbox...)Show SMILES COc1ccc(CCCCOC(=O)C2CCCCN2C(=O)C(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C23H33NO5/c1-23(2,3)20(25)21(26)24-15-7-5-10-19(24)22(27)29-16-8-6-9-17-11-13-18(28-4)14-12-17/h11-14,19H,5-10,15-16H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of binding to FKBP12 receptor |
Bioorg Med Chem Lett 7: 1785-1790 (1997)
Article DOI: 10.1016/S0960-894X(97)00304-1
BindingDB Entry DOI: 10.7270/Q2PZ58TF |
More data for this
Ligand-Target Pair | |
Peptidylprolyl isomerase
(Gallus gallus) | BDBM50068589
(1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C25H37NO7/c1-7-25(2,3)22(27)23(28)26-13-9-8-12-18(26)24(29)33-14-10-11-17-15-19(30-4)21(32-6)20(16-17)31-5/h15-16,18H,7-14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of binding to FKBP12 receptor |
Bioorg Med Chem Lett 7: 1785-1790 (1997)
Article DOI: 10.1016/S0960-894X(97)00304-1
BindingDB Entry DOI: 10.7270/Q2PZ58TF |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50052510
(8-Methyl-3-(2-oxo-propyl)-1-propyl-1,3,8-triaza-sp...)Show InChI InChI=1S/C14H25N3O2/c1-4-7-17-11-16(10-12(2)18)13(19)14(17)5-8-15(3)9-6-14/h4-11H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Scios Nova, Inc.
Curated by ChEMBL
| Assay Description
Affinity to human Bradykinin receptor B2 in CHO cell membranes determined by displacement of [3H]-NPC 17731 |
J Med Chem 39: 3169-73 (1996)
Article DOI: 10.1021/jm950676i
BindingDB Entry DOI: 10.7270/Q2C24VH9 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Bos taurus (bovine)) | BDBM23319
(3,3-dimethyl-1-[(2S)-2-(5-phenylpentanoyl)pyrrolid...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1ccccc1 |r| Show InChI InChI=1S/C22H31NO3/c1-4-22(2,3)20(25)21(26)23-16-10-14-18(23)19(24)15-9-8-13-17-11-6-5-7-12-17/h5-7,11-12,18H,4,8-10,13-16H2,1-3H3/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 30 | -39.3 | n/a | n/a | n/a | n/a | n/a | 8.0 | 0 |
Guilford Pharmaceuticals, Inc.
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 45: 3558-68 (2002)
Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G |
More data for this
Ligand-Target Pair | |
Peptidylprolyl isomerase
(Gallus gallus) | BDBM50068572
(1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C32H43NO4/c1-4-32(2,3)29(34)30(35)33-24-12-11-23-28(33)31(36)37-27(21-13-19-25-15-7-5-8-16-25)22-14-20-26-17-9-6-10-18-26/h5-10,15-18,27-28H,4,11-14,19-24H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of binding to FKBP12 receptor |
Bioorg Med Chem Lett 7: 1785-1790 (1997)
Article DOI: 10.1016/S0960-894X(97)00304-1
BindingDB Entry DOI: 10.7270/Q2PZ58TF |
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 | |
Peptidylprolyl isomerase
(Gallus gallus) | BDBM50068596
(1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCCc1ccc(OC)cc1 Show InChI InChI=1S/C24H35NO5/c1-5-24(2,3)21(26)22(27)25-16-8-6-11-20(25)23(28)30-17-9-7-10-18-12-14-19(29-4)15-13-18/h12-15,20H,5-11,16-17H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of binding to FKBP12 receptor |
Bioorg Med Chem Lett 7: 1785-1790 (1997)
Article DOI: 10.1016/S0960-894X(97)00304-1
BindingDB Entry DOI: 10.7270/Q2PZ58TF |
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)) | BDBM50113113
((S)-1-Phenylmethanesulfonyl-piperidine-2-carboxyli...)Show SMILES O=C(NCCCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H30N2O3S/c26-23(24-17-9-7-13-20-11-3-1-4-12-20)22-16-8-10-18-25(22)29(27,28)19-21-14-5-2-6-15-21/h1-6,11-12,14-15,22H,7-10,13,16-19H2,(H,24,26)/t22-/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
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Ability to inhibit peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12 |
Bioorg Med Chem Lett 12: 1429-33 (2002)
BindingDB Entry DOI: 10.7270/Q23J3C9S |
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
(Bos taurus (bovine)) | BDBM23322
(3,3-dimethyl-1-[(2S)-2-{5-[2,3,5,6-tetrafluoro-4-(...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1c(F)c(F)c(c(F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C23H26F7NO3/c1-4-22(2,3)20(33)21(34)31-11-7-9-13(31)14(32)10-6-5-8-12-16(24)18(26)15(23(28,29)30)19(27)17(12)25/h13H,4-11H2,1-3H3/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 130 | -36.0 | n/a | n/a | n/a | n/a | n/a | 8.0 | 0 |
Guilford Pharmaceuticals, Inc.
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 45: 3558-68 (2002)
Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Bos taurus (bovine)) | BDBM23323
(3,3-dimethyl-1-[(2S)-2-(4-phenylbutanoyl)pyrrolidi...)Show SMILES CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCc1ccccc1 |r| Show InChI InChI=1S/C20H27NO3/c1-20(2,3)18(23)19(24)21-14-8-12-16(21)17(22)13-7-11-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 180 | -35.3 | n/a | n/a | n/a | n/a | n/a | 8.0 | 0 |
Guilford Pharmaceuticals, Inc.
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 45: 3558-68 (2002)
Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G |
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
(Bos taurus (bovine)) | BDBM23325
(3,3-dimethyl-1-[(2S)-2-[5-(pyridin-3-yl)pentanoyl]...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1cccnc1 |r| Show InChI InChI=1S/C21H30N2O3/c1-4-21(2,3)19(25)20(26)23-14-8-11-17(23)18(24)12-6-5-9-16-10-7-13-22-15-16/h7,10,13,15,17H,4-6,8-9,11-12,14H2,1-3H3/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 210 | -34.9 | n/a | n/a | n/a | n/a | n/a | 8.0 | 0 |
Guilford Pharmaceuticals, Inc.
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 45: 3558-68 (2002)
Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G |
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
(Bos taurus (bovine)) | BDBM23324
(1-[(2S)-2-[5-(4-hydroxyphenyl)pentanoyl]pyrrolidin...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1ccc(O)cc1 |r| Show InChI InChI=1S/C22H31NO4/c1-4-22(2,3)20(26)21(27)23-15-7-9-18(23)19(25)10-6-5-8-16-11-13-17(24)14-12-16/h11-14,18,24H,4-10,15H2,1-3H3/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 240 | -34.6 | n/a | n/a | n/a | n/a | n/a | 8.0 | 0 |
Guilford Pharmaceuticals, Inc.
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 45: 3558-68 (2002)
Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G |
More data for this
Ligand-Target Pair | |
Peptidylprolyl isomerase
(Gallus gallus) | BDBM50068555
(1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1ccccc1 Show InChI InChI=1S/C22H31NO4/c1-4-22(2,3)19(24)20(25)23-15-9-8-14-18(23)21(26)27-16-10-13-17-11-6-5-7-12-17/h5-7,11-12,18H,4,8-10,13-16H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of binding to FKBP12 receptor |
Bioorg Med Chem Lett 7: 1785-1790 (1997)
Article DOI: 10.1016/S0960-894X(97)00304-1
BindingDB Entry DOI: 10.7270/Q2PZ58TF |
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
(Bos taurus (bovine)) | BDBM23333
(3,3-dimethyl-1-[(2S)-2-(6-phenylhexanoyl)piperidin...)Show SMILES CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1ccccc1 |r| Show InChI InChI=1S/C23H33NO3/c1-23(2,3)21(26)22(27)24-17-11-10-15-19(24)20(25)16-9-5-8-14-18-12-6-4-7-13-18/h4,6-7,12-13,19H,5,8-11,14-17H2,1-3H3/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 290 | -34.2 | n/a | n/a | n/a | n/a | n/a | 8.0 | 0 |
Guilford Pharmaceuticals, Inc.
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 45: 3558-68 (2002)
Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Bos taurus (bovine)) | BDBM23320
(1-cyclohexyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolid...)Show SMILES O=C(CCCCc1ccccc1)[C@@H]1CCCN1C(=O)C(=O)C1CCCCC1 |r| Show InChI InChI=1S/C23H31NO3/c25-21(16-8-7-12-18-10-3-1-4-11-18)20-15-9-17-24(20)23(27)22(26)19-13-5-2-6-14-19/h1,3-4,10-11,19-20H,2,5-9,12-17H2/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 310 | -34.0 | n/a | n/a | n/a | n/a | n/a | 8.0 | 0 |
Guilford Pharmaceuticals, Inc.
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 45: 3558-68 (2002)
Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G |
More data for this
Ligand-Target Pair | |
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