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Compile Data Set for Download or QSAR

Found 36 hits of kd data for polymerid = 50000503   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM36609
PNG
(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)
Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31|
Show InChI InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
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n/an/an/a 0.200n/an/an/an/an/a



Janssen Pharmaceutical Research and Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to FKBP12 (unknown origin) by NMR analysis


J Med Chem 57: 7819-37 (2014)


Article DOI: 10.1021/jm500325k
BindingDB Entry DOI: 10.7270/Q2JW8GH3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50030448
PNG
(8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | CHEMBL269732 ...)
Show SMILES CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |r,t:45|
Show InChI InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
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n/an/an/a 0.400n/an/an/an/an/a



Janssen Pharmaceutical Research and Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to FKBP12 (unknown origin) by NMR analysis


J Med Chem 57: 7819-37 (2014)


Article DOI: 10.1021/jm500325k
BindingDB Entry DOI: 10.7270/Q2JW8GH3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575667
PNG
(CHEMBL4871144)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OC[C@@H](O)[C@H](O)COc4cccc2c4)c3)cc1OC |r|
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n/an/an/a 9n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575668
PNG
(CHEMBL4878667)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OC[C@H](O)[C@@H](O)COc4cccc2c4)c3)cc1OC |r|
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n/an/an/a 19n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575672
PNG
(CHEMBL4858532)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCC(=O)CCOc4cccc2c4)c3)cc1OC |r|
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n/an/an/a 20n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575666
PNG
(CHEMBL4863989)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCC(=O)COc4cccc2c4)c3)cc1OC |r|
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n/an/an/a 32n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575652
PNG
(CHEMBL4878890)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCC(=O)COc4cccc2c4)c(OC)c3)cc1OC |r|
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n/an/an/a 38n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575673
PNG
(CHEMBL4876415)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCCC(=O)COc4cccc2c4)c3)cc1OC |r|
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n/an/an/a 43n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575677
PNG
(CHEMBL4866742)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCOCC(=O)CCOc4cccc2c4)c3)cc1OC |r|
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n/an/an/a 53n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575665
PNG
(CHEMBL4872580)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCCCOc4cccc2c4)c3)cc1OC |r|
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n/an/an/a 62n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575662
PNG
(CHEMBL4859741)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCOc4cccc2c4)c3)cc1OC |r|
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n/an/an/a 82n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575653
PNG
(CHEMBL4856956)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCC(O)C(O)COc4cccc2c4)c(OC)c3)cc1OC |r|
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n/an/an/a 85n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575663
PNG
(CHEMBL4879078)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCCOc4cccc2c4)c3)cc1OC |r|
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n/an/an/a 94n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575671
PNG
(CHEMBL4870008)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCCCCOc4cccc2c4)c3)cc1OC |r|
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n/an/an/a 100n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575674
PNG
(CHEMBL4862808)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCOC\C=C\COc4cccc2c4)c3)cc1OC |r,t:43|
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n/an/an/a 105n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575676
PNG
(CHEMBL4862282)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCOCCCCOc4cccc2c4)c3)cc1OC |r|
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n/an/an/a 115n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575670
PNG
(CHEMBL4850434)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCC\C=C/COc4cccc2c4)c3)cc1OC |r,c:41|
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n/an/an/a 116n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575646
PNG
(CHEMBL4876664)
Show SMILES COc1cccc(c1)[C@@H](CCc1ccc(OC)c(OC)c1)OC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C1CCCCC1)c1cc(OC)c(OC)c(OC)c1 |r|
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n/an/an/a 203n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575664
PNG
(CHEMBL4868302)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OC\C=C\COc4cccc2c4)c3)cc1OC |r,t:40|
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n/an/an/a 216n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575647
PNG
(CHEMBL4856457)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCOc4cccc2c4)c(OC)c3)cc1OC |r|
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n/an/an/a 227n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575679
PNG
(CHEMBL4850750)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCCOCCCCOc4cccc2c4)c3)cc1OC |r|
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n/an/an/a 227n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575661
PNG
(CHEMBL4853042)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCCOCCCCOc4cccc2c4)c(OC)c3)cc1OC |r|
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TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575675
PNG
(CHEMBL4856203)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCOC\C=C/COc4cccc2c4)c3)cc1OC |r,c:43|
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TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575660
PNG
(CHEMBL4855135)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCCOC\C=C\COc4cccc2c4)c(OC)c3)cc1OC |r,t:41|
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n/an/an/a 335n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575658
PNG
(CHEMBL4860544)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCOC\C=C/COc4cccc2c4)c(OC)c3)cc1OC |r,c:40|
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n/an/an/a 344n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575678
PNG
(CHEMBL4877731)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCCOC\C=C/COc4cccc2c4)c3)cc1OC |r,c:44|
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n/an/an/a 352n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575651
PNG
(CHEMBL4863807)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCCCOc4cccc2c4)c(OC)c3)cc1OC |r|
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n/an/an/a 383n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575659
PNG
(CHEMBL4874574)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCOCCCCOc4cccc2c4)c(OC)c3)cc1OC |r|
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n/an/an/a 429n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575648
PNG
(CHEMBL4848201)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCCOc4cccc2c4)c(OC)c3)cc1OC |r|
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n/an/an/a 446n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575655
PNG
(CHEMBL4863883)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCC\C=C/COc4cccc2c4)c(OC)c3)cc1OC |r,c:38|
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n/an/an/a 495n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575649
PNG
(CHEMBL4875870)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC\C=C\COc4cccc2c4)c(OC)c3)cc1OC |r,t:37|
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n/an/an/a 606n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575650
PNG
(CHEMBL4872122)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC\C=C/COc4cccc2c4)c(OC)c3)cc1OC |r,c:37|
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n/an/an/a 658n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575669
PNG
(CHEMBL4864747)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCC\C=C\COc4cccc2c4)c3)cc1OC |r,t:41|
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n/an/an/a 709n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575657
PNG
(CHEMBL4866065)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCOC\C=C\COc4cccc2c4)c(OC)c3)cc1OC |r,t:40|
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n/an/an/a 715n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575656
PNG
(CHEMBL4863758)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCCCCOc4cccc2c4)c(OC)c3)cc1OC |r|
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n/an/an/a 849n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B


(Homo sapiens (Human))
BDBM50575654
PNG
(CHEMBL4867024)
Show SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCC\C=C\COc4cccc2c4)c(OC)c3)cc1OC |r,t:38|
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n/an/an/a 1.08E+3n/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02195
BindingDB Entry DOI: 10.7270/Q2988BT3
More data for this
Ligand-Target Pair