BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 57 hits Enz. Inhib. hit(s) with Target = 'Immunophilin FKBP12'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
FK506-binding protein 1B


(Homo sapiens)
BDBM50029191
PNG
(15-Benzyl-30-ethyl-12-hydroxymethyl-33-(1-hydroxy-...)
Show SMILES CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)[C@@H](C(C)C)N(C)[C@@H](O)[C@H](CC(C)C)N(C)[C@@H](O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)N[C@@H](O)[C@@H](CC(C)C)N(C)C(=O)C(N[C@@H](O)[C@H](CC(C)C)N(C)[C@@H](O)CN(C)[C@@H]1O)C(C)C
Show InChI InChI=1S/C62H123N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-52,54-55,58-60,63,66,74-75,77-78,81-83H,26,28-33H2,1-24H3,(H,64,76)(H,65,79)/b27-25+/t40?,41-,42+,43?,44-,45+,46-,47-,48-,49?,50+,51?,52?,54-,55-,58+,59-,60-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Peptidyl-propyl isomerase (PPIase).


J Med Chem 38: 4164-70 (1995)


Article DOI: 10.1021/jm00021a005
BindingDB Entry DOI: 10.7270/Q2X34WGK
More data for this
Ligand-Target Pair
FK506-binding protein 1B


(Homo sapiens)
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Peptidyl-propyl isomerase (PPIase).


J Med Chem 38: 4164-70 (1995)


Article DOI: 10.1021/jm00021a005
BindingDB Entry DOI: 10.7270/Q2X34WGK
More data for this
Ligand-Target Pair
FK506-binding protein 1B


(Homo sapiens)
BDBM50029190
PNG
(15-Benzyl-30-ethyl-33-(1-hydroxy-2-methyl-hex-4-en...)
Show SMILES CC[C@@H]1NC(=O)[C@H](C(O)C(C)C\C=C\C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C69H117N11O12/c1-25-27-31-45(15)58(81)57-62(85)71-49(26-2)65(88)74(18)47(17)64(87)75(19)52(35-40(5)6)61(84)73-55(43(11)12)68(91)76(20)51(34-39(3)4)60(83)72-50(38-48-32-29-28-30-33-48)59(82)70-46(16)63(86)77(21)53(36-41(7)8)66(89)78(22)54(37-42(9)10)67(90)79(23)56(44(13)14)69(92)80(57)24/h25,27-30,32-33,39-47,49-58,81H,26,31,34-38H2,1-24H3,(H,70,82)(H,71,85)(H,72,83)(H,73,84)/b27-25+/t45?,46-,47-,49+,50-,51-,52+,53-,54+,55+,56-,57+,58?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Peptidyl-propyl isomerase (PPIase).


J Med Chem 38: 4164-70 (1995)


Article DOI: 10.1021/jm00021a005
BindingDB Entry DOI: 10.7270/Q2X34WGK
More data for this
Ligand-Target Pair
FK506-binding protein 1B


(Homo sapiens)
BDBM50029192
PNG
(15-Benzyl-30-ethyl-12-hydroxymethyl-33-(1-hydroxy-...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)C(C)C\C=C\C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C68H115N11O13/c1-23-25-29-45(15)58(82)57-62(86)69-47(24-2)63(87)73(16)37-54(81)74(17)50(32-39(3)4)61(85)72-55(43(11)12)67(91)75(18)51(33-40(5)6)60(84)70-48(36-46-30-27-26-28-31-46)59(83)71-49(38-80)64(88)76(19)52(34-41(7)8)65(89)77(20)53(35-42(9)10)66(90)78(21)56(44(13)14)68(92)79(57)22/h23,25-28,30-31,39-45,47-53,55-58,80,82H,24,29,32-38H2,1-22H3,(H,69,86)(H,70,84)(H,71,83)(H,72,85)/b25-23+/t45?,47-,48+,49-,50-,51+,52+,53-,55-,56+,57-,58+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Peptidyl-propyl isomerase (PPIase).


J Med Chem 38: 4164-70 (1995)


Article DOI: 10.1021/jm00021a005
BindingDB Entry DOI: 10.7270/Q2X34WGK
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23334
PNG
(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
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
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
7.5 -42.5n/an/an/an/an/a8.00



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
3D Structure (crystal)
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23319
PNG
(3,3-dimethyl-1-[(2S)-2-(5-phenylpentanoyl)pyrrolid...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1ccccc1
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 -39.3n/an/an/an/an/a8.00



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
FK506-binding protein 1B


(Homo sapiens)
BDBM50029194
PNG
(15-Benzyl-30-ethyl-33-(1-hydroxy-2-methyl-hex-4-en...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)C(C)C\C=C\C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C68H115N11O12/c1-24-26-30-45(15)58(81)57-62(85)70-48(25-2)64(87)73(17)38-54(80)74(18)50(33-39(3)4)61(84)72-55(43(11)12)67(90)75(19)51(34-40(5)6)60(83)71-49(37-47-31-28-27-29-32-47)59(82)69-46(16)63(86)76(20)52(35-41(7)8)65(88)77(21)53(36-42(9)10)66(89)78(22)56(44(13)14)68(91)79(57)23/h24,26-29,31-32,39-46,48-53,55-58,81H,25,30,33-38H2,1-23H3,(H,69,82)(H,70,85)(H,71,83)(H,72,84)/b26-24+/t45?,46-,48+,49-,50+,51-,52-,53+,55+,56-,57+,58-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
33n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Peptidyl-propyl isomerase (PPIase).


J Med Chem 38: 4164-70 (1995)


Article DOI: 10.1021/jm00021a005
BindingDB Entry DOI: 10.7270/Q2X34WGK
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23397
PNG
(4-(3,5-dimethoxyphenyl)-13-[2-oxo-2-(3,4,5-trimeth...)
Show SMILES COc1cc(OC)cc(c1)N1C=C2C3CCCC(N3C(=O)C(=O)c3cc(OC)c(OC)c(OC)c3)C(=O)N2CC1=O
Show InChI InChI=1S/C29H31N3O9/c1-37-18-11-17(12-19(13-18)38-2)30-14-22-20-7-6-8-21(28(35)31(22)15-25(30)33)32(20)29(36)26(34)16-9-23(39-3)27(41-5)24(10-16)40-4/h9-14,20-21H,6-8,15H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
54n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23372
PNG
(17-[(3-bromobenzene)sulfonyl]-4,6-dimethoxy-11,17-...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4cccc(Br)c4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C23H25BrN2O5S/c1-30-16-11-14-9-10-25-22(21(14)20(13-16)31-2)18-7-4-8-19(23(25)27)26(18)32(28,29)17-6-3-5-15(24)12-17/h3,5-6,11-13,18-19,22H,4,7-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
54n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23373
PNG
(4-({4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11....)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)C#N)C3=O)c2c(OC)c1
Show InChI InChI=1S/C24H25N3O5S/c1-31-17-12-16-10-11-26-23(22(16)21(13-17)32-2)19-4-3-5-20(24(26)28)27(19)33(29,30)18-8-6-15(14-25)7-9-18/h6-9,12-13,19-20,23H,3-5,10-11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
82n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23374
PNG
(4,6-dimethoxy-17-[(4-methylbenzene)sulfonyl]-11,17...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(C)cc4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C24H28N2O5S/c1-15-7-9-18(10-8-15)32(28,29)26-19-5-4-6-20(26)24(27)25-12-11-16-13-17(30-2)14-21(31-3)22(16)23(19)25/h7-10,13-14,19-20,23H,4-6,11-12H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
84n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23375
PNG
(4,6-dimethoxy-17-[(4-phenylbenzene)sulfonyl]-11,17...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)-c4ccccc4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C29H30N2O5S/c1-35-22-17-21-15-16-30-28(27(21)26(18-22)36-2)24-9-6-10-25(29(30)32)31(24)37(33,34)23-13-11-20(12-14-23)19-7-4-3-5-8-19/h3-5,7-8,11-14,17-18,24-25,28H,6,9-10,15-16H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
88n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23365
PNG
(17-[2,2-difluoro-2-(3,4,5-trimethoxyphenyl)acetyl]...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(F)(F)c4cc(OC)c(OC)c(OC)c4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C28H32F2N2O7/c1-35-17-11-15-9-10-31-24(23(15)20(14-17)36-2)18-7-6-8-19(26(31)33)32(18)27(34)28(29,30)16-12-21(37-3)25(39-5)22(13-16)38-4/h11-14,18-19,24H,6-10H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
91n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23376
PNG
(17-[(4-bromobenzene)sulfonyl]-4,6-dimethoxy-11,17-...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(Br)cc4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C23H25BrN2O5S/c1-30-16-12-14-10-11-25-22(21(14)20(13-16)31-2)18-4-3-5-19(23(25)27)26(18)32(28,29)17-8-6-15(24)7-9-17/h6-9,12-13,18-19,22H,3-5,10-11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
92n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23377
PNG
(4,6-dimethoxy-17-[(3-methylbenzene)sulfonyl]-11,17...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4cccc(C)c4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C24H28N2O5S/c1-15-6-4-7-18(12-15)32(28,29)26-19-8-5-9-20(26)24(27)25-11-10-16-13-17(30-2)14-21(31-3)22(16)23(19)25/h4,6-7,12-14,19-20,23H,5,8-11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
104n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23367
PNG
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccs4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C23H24N2O5S/c1-29-14-11-13-8-9-24-20(19(13)17(12-14)30-2)15-5-3-6-16(22(24)27)25(15)23(28)21(26)18-7-4-10-31-18/h4,7,10-12,15-16,20H,3,5-6,8-9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
107n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23368
PNG
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccnc4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C24H25N3O5/c1-31-16-11-14-8-10-26-21(20(14)19(12-16)32-2)17-6-3-7-18(23(26)29)27(17)24(30)22(28)15-5-4-9-25-13-15/h4-5,9,11-13,17-18,21H,3,6-8,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23369
PNG
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccncc4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C24H25N3O5/c1-31-16-12-15-8-11-26-21(20(15)19(13-16)32-2)17-4-3-5-18(23(26)29)27(17)24(30)22(28)14-6-9-25-10-7-14/h6-7,9-10,12-13,17-18,21H,3-5,8,11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
114n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23387
PNG
(17-{[(2R,6S)-2,6-dimethylmorpholine-4-]sulfonyl}-6...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)C(=O)N3CCc2c1
Show InChI InChI=1S/C22H31N3O5S/c1-14-12-23(13-15(2)30-14)31(27,28)25-19-5-4-6-20(25)22(26)24-10-9-16-11-17(29-3)7-8-18(16)21(19)24/h7-8,11,14-15,19-21H,4-6,9-10,12-13H2,1-3H3/t14-,15+,19?,20?,21?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
123n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23322
PNG
(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
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 -36.0n/an/an/an/an/a8.00



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
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23388
PNG
(N-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diaz...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(F)c(F)c4)C(=O)N3CCc2c1
Show InChI InChI=1S/C22H23F2N3O4S/c1-31-15-6-7-16-13(11-15)9-10-26-21(16)19-3-2-4-20(22(26)28)27(19)32(29,30)25-14-5-8-17(23)18(24)12-14/h5-8,11-12,19-21,25H,2-4,9-10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
150n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23378
PNG
(17-{[4-(3,4-dichlorophenyl)benzene]sulfonyl}-4,6-d...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)-c4ccc(Cl)c(Cl)c4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C29H28Cl2N2O5S/c1-37-20-14-19-12-13-32-28(27(19)26(16-20)38-2)24-4-3-5-25(29(32)34)33(24)39(35,36)21-9-6-17(7-10-21)18-8-11-22(30)23(31)15-18/h6-11,14-16,24-25,28H,3-5,12-13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
156n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23323
PNG
(3,3-dimethyl-1-[(2S)-2-(4-phenylbutanoyl)pyrrolidi...)
Show SMILES CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCc1ccccc1
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 -35.3n/an/an/an/an/a8.00



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
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23389
PNG
(N-(6-fluoropyridin-3-yl)-6-methoxy-12-oxo-11,17-di...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(F)nc4)C(=O)N3CCc2c1
Show InChI InChI=1S/C21H23FN4O4S/c1-30-15-6-7-16-13(11-15)9-10-25-20(16)17-3-2-4-18(21(25)27)26(17)31(28,29)24-14-5-8-19(22)23-12-14/h5-8,11-12,17-18,20,24H,2-4,9-10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
183n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23325
PNG
(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
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 -34.9n/an/an/an/an/a8.00



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
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23390
PNG
(6-methoxy-N-(6-methoxypyridin-3-yl)-12-oxo-11,17-d...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(OC)nc4)C(=O)N3CCc2c1
Show InChI InChI=1S/C22H26N4O5S/c1-30-16-7-8-17-14(12-16)10-11-25-21(17)18-4-3-5-19(22(25)27)26(18)32(28,29)24-15-6-9-20(31-2)23-13-15/h6-9,12-13,18-19,21,24H,3-5,10-11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
210n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23391
PNG
(6-methoxy-12-oxo-N-(3,4,5-trifluorophenyl)-11,17-d...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4cc(F)c(F)c(F)c4)C(=O)N3CCc2c1
Show InChI InChI=1S/C22H22F3N3O4S/c1-32-14-5-6-15-12(9-14)7-8-27-21(15)18-3-2-4-19(22(27)29)28(18)33(30,31)26-13-10-16(23)20(25)17(24)11-13/h5-6,9-11,18-19,21,26H,2-4,7-8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
236n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23324
PNG
(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
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 -34.6n/an/an/an/an/a8.00



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
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23379
PNG
(17-(benzenesulfonyl)-4,6-dimethoxy-11,17-diazatetr...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccccc4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C23H26N2O5S/c1-29-16-13-15-11-12-24-22(21(15)20(14-16)30-2)18-9-6-10-19(23(24)26)25(18)31(27,28)17-7-4-3-5-8-17/h3-5,7-8,13-14,18-19,22H,6,9-12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
244n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23380
PNG
(17-[(4-ethylbenzene)sulfonyl]-4,6-dimethoxy-11,17-...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21
Show InChI InChI=1S/C25H30N2O5S/c1-4-16-8-10-19(11-9-16)33(29,30)27-20-6-5-7-21(27)25(28)26-13-12-17-14-18(31-2)15-22(32-3)23(17)24(20)26/h8-11,14-15,20-21,24H,4-7,12-13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
266n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23370
PNG
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccco4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C23H24N2O6/c1-29-14-11-13-8-9-24-20(19(13)18(12-14)30-2)15-5-3-6-16(22(24)27)25(15)23(28)21(26)17-7-4-10-31-17/h4,7,10-12,15-16,20H,3,5-6,8-9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
279n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23381
PNG
(4,6-dimethoxy-17-({4-[(3,4,5-trimethoxyphenyl)amin...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(Nc5cc(OC)c(OC)c(OC)c5)cc4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C32H37N3O8S/c1-39-22-15-19-13-14-34-30(29(19)26(18-22)40-2)24-7-6-8-25(32(34)36)35(24)44(37,38)23-11-9-20(10-12-23)33-21-16-27(41-3)31(43-5)28(17-21)42-4/h9-12,15-18,24-25,30,33H,6-8,13-14H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
288n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23333
PNG
(3,3-dimethyl-1-[(2S)-2-(6-phenylhexanoyl)piperidin...)
Show SMILES CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1ccccc1
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 -34.2n/an/an/an/an/a8.00



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
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23320
PNG
(1-cyclohexyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolid...)
Show SMILES O=C(CCCCc1ccccc1)[C@@H]1CCCN1C(=O)C(=O)C1CCCCC1
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 -34.0n/an/an/an/an/a8.00



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
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23382
PNG
(4,6-dimethoxy-N-(2-methylphenyl)-12-oxo-11,17-diaz...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccccc4C)C3=O)c2c(OC)c1
Show InChI InChI=1S/C25H29N3O4/c1-15-7-4-5-8-18(15)26-25(30)28-19-9-6-10-20(28)24(29)27-12-11-16-13-17(31-2)14-21(32-3)22(16)23(19)27/h4-5,7-8,13-14,19-20,23H,6,9-12H2,1-3H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
330n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23383
PNG
(4,6-dimethoxy-N-(2-methoxyphenyl)-12-oxo-11,17-dia...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccccc4OC)C3=O)c2c(OC)c1
Show InChI InChI=1S/C25H29N3O5/c1-31-16-13-15-11-12-27-23(22(15)21(14-16)33-3)18-8-6-9-19(24(27)29)28(18)25(30)26-17-7-4-5-10-20(17)32-2/h4-5,7,10,13-14,18-19,23H,6,8-9,11-12H2,1-3H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
357n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23393
PNG
(6-methoxy-17-(piperidine-1-sulfonyl)-11,17-diazate...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)N4CCCCC4)C(=O)N3CCc2c1
Show InChI InChI=1S/C21H29N3O4S/c1-28-16-8-9-17-15(14-16)10-13-23-20(17)18-6-5-7-19(21(23)25)24(18)29(26,27)22-11-3-2-4-12-22/h8-9,14,18-20H,2-7,10-13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
360n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23392
PNG
(N-(6-chloropyridin-3-yl)-6-methoxy-12-oxo-11,17-di...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(Cl)nc4)C(=O)N3CCc2c1
Show InChI InChI=1S/C21H23ClN4O4S/c1-30-15-6-7-16-13(11-15)9-10-25-20(16)17-3-2-4-18(21(25)27)26(17)31(28,29)24-14-5-8-19(22)23-12-14/h5-8,11-12,17-18,20,24H,2-4,9-10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
360n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23326
PNG
(1-[(2S)-2-[5,5-bis(4-fluorophenyl)pentanoyl]pyrrol...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H33F2NO3/c1-4-28(2,3)26(33)27(34)31-18-6-8-24(31)25(32)9-5-7-23(19-10-14-21(29)15-11-19)20-12-16-22(30)17-13-20/h10-17,23-24H,4-9,18H2,1-3H3/t24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
460 -33.1n/an/an/an/an/a8.00



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
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23394
PNG
(6-methoxy-12-oxo-N-(2,4,5-trifluorophenyl)-11,17-d...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4cc(F)c(F)cc4F)C(=O)N3CCc2c1
Show InChI InChI=1S/C22H22F3N3O4S/c1-32-13-5-6-14-12(9-13)7-8-27-21(14)19-3-2-4-20(22(27)29)28(19)33(30,31)26-18-11-16(24)15(23)10-17(18)25/h5-6,9-11,19-21,26H,2-4,7-8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
590n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23395
PNG
(6-methoxy-N-[6-(morpholin-4-yl)pyridin-3-yl]-12-ox...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(nc4)N4CCOCC4)C(=O)N3CCc2c1
Show InChI InChI=1S/C25H31N5O5S/c1-34-19-6-7-20-17(15-19)9-10-29-24(20)21-3-2-4-22(25(29)31)30(21)36(32,33)27-18-5-8-23(26-16-18)28-11-13-35-14-12-28/h5-8,15-16,21-22,24,27H,2-4,9-14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
591n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23396
PNG
(6-methoxy-12-oxo-N-(3,4,5-trimethoxyphenyl)-11,17-...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4cc(OC)c(OC)c(OC)c4)C(=O)N3CCc2c1
Show InChI InChI=1S/C25H31N3O7S/c1-32-17-8-9-18-15(12-17)10-11-27-23(18)19-6-5-7-20(25(27)29)28(19)36(30,31)26-16-13-21(33-2)24(35-4)22(14-16)34-3/h8-9,12-14,19-20,23,26H,5-7,10-11H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
640n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23384
PNG
(4,6-dimethoxy-N-(4-nitrophenyl)-12-oxo-11,17-diaza...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccc(cc4)[N+]([O-])=O)C3=O)c2c(OC)c1
Show InChI InChI=1S/C24H26N4O6/c1-33-17-12-14-10-11-26-22(21(14)20(13-17)34-2)18-4-3-5-19(23(26)29)27(18)24(30)25-15-6-8-16(9-7-15)28(31)32/h6-9,12-13,18-19,22H,3-5,10-11H2,1-2H3,(H,25,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
772n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23330
PNG
(3,3-dimethyl-1-[(2S)-2-(5-phenylpentanoyl)piperidi...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCc1ccccc1
Show InChI InChI=1S/C23H33NO3/c1-4-23(2,3)21(26)22(27)24-17-11-10-15-19(24)20(25)16-9-8-14-18-12-6-5-7-13-18/h5-7,12-13,19H,4,8-11,14-17H2,1-3H3/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
790 -31.9n/an/an/an/an/a8.00



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
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23332
PNG
(3,3-dimethyl-1-[(2S)-2-[6-(pyridin-3-yl)hexanoyl]p...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1cccnc1
Show InChI InChI=1S/C23H34N2O3/c1-4-23(2,3)21(27)22(28)25-16-9-8-13-19(25)20(26)14-7-5-6-11-18-12-10-15-24-17-18/h10,12,15,17,19H,4-9,11,13-14,16H2,1-3H3/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
900 -31.6n/an/an/an/an/a8.00



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
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23317
PNG
(3,3-dimethyl-1-[(2S)-2-pentanoylpyrrolidin-1-yl]pe...)
Show SMILES CCCCC(=O)[C@@H]1CCCN1C(=O)C(=O)C(C)(C)CC
Show InChI InChI=1S/C16H27NO3/c1-5-7-10-13(18)12-9-8-11-17(12)15(20)14(19)16(3,4)6-2/h12H,5-11H2,1-4H3/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+3 -29.8n/an/an/an/an/a8.00



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
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23371
PNG
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cc5ccccc5[nH]4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C27H27N3O5/c1-34-17-12-16-10-11-29-24(23(16)22(14-17)35-2)20-8-5-9-21(26(29)32)30(20)27(33)25(31)19-13-15-6-3-4-7-18(15)28-19/h3-4,6-7,12-14,20-21,24,28H,5,8-11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23385
PNG
(4,6-dimethoxy-12-oxo-N-phenyl-11,17-diazatetracycl...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccccc4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C24H27N3O4/c1-30-17-13-15-11-12-26-22(21(15)20(14-17)31-2)18-9-6-10-19(23(26)28)27(18)24(29)25-16-7-4-3-5-8-16/h3-5,7-8,13-14,18-19,22H,6,9-12H2,1-2H3,(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.70E+3n/an/an/an/an/an/an/an/a



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23331
PNG
(3,3-dimethyl-1-[(2S)-2-(6-phenylhexanoyl)piperidin...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C24H35NO3/c1-4-24(2,3)22(27)23(28)25-18-12-11-16-20(25)21(26)17-10-6-9-15-19-13-7-5-8-14-19/h5,7-8,13-14,20H,4,6,9-12,15-18H2,1-3H3/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3 -28.9n/an/an/an/an/a8.00



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
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23328
PNG
(3,3-dimethyl-1-[(2S)-2-pentanoylpiperidin-1-yl]pen...)
Show SMILES CCCCC(=O)[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)CC
Show InChI InChI=1S/C17H29NO3/c1-5-7-11-14(19)13-10-8-9-12-18(13)16(21)15(20)17(3,4)6-2/h13H,5-12H2,1-4H3/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40E+3 -28.6n/an/an/an/an/a8.00



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
Displayed 1 to 50 (of 57 total )  |  Next  |  Last  >>
Jump to: