BindingDB logo
myBDB logout

Articleid 50029335

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50283510
PNG
((3R,4R,30aS)-4,10-dimethyl-8-(prop-2-en-1-yl)-3-[2...)
Show SMILES C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)CCCCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10|
Show InChI InChI=1S/C38H48N2O12/c1-4-10-28-23-25(2)19-22-49-38(48)51-33(43)14-6-5-13-31(42)36(46)52-37(47)34(44)40-21-8-7-12-29(40)35(45)50-32(26(3)15-17-30(28)41)18-16-27-11-9-20-39-24-27/h4,9,11,20,23-24,26,28-29,32H,1,5-8,10,12-19,21-22H2,2-3H3/b25-23+/t26-,28?,29+,32-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
n/an/an/a 4.50E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards FK506 binding protein 12 as measured by displacement of a radiolabelled FK506 analogue

Bioorg Med Chem Lett 4: 2507-2510 (1994)


Article DOI: 10.1016/S0960-894X(01)80273-0
BindingDB Entry DOI: 10.7270/Q2ZS2WG1
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50283511
PNG
((1R,13S,16R,17R,22E)-17,23-dimethyl-21-(prop-2-en-...)
Show SMILES C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)C2CC[C@@H](O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10|
Show InChI InChI=1S/C39H46N2O14/c1-4-8-26-21-23(2)17-20-51-39(50)55-36(47)31-16-15-30(52-31)32(43)33(44)37(48)54-38(49)34(45)41-19-6-5-10-27(41)35(46)53-29(24(3)11-13-28(26)42)14-12-25-9-7-18-40-22-25/h4,7,9,18,21-22,24,26-27,29-31H,1,5-6,8,10-17,19-20H2,2-3H3/b23-21+/t24-,26?,27+,29-,30-,31?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
n/an/an/a 400n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards FK506 binding protein 12 as measured by displacement of a radiolabelled FK506 analogue

Bioorg Med Chem Lett 4: 2507-2510 (1994)


Article DOI: 10.1016/S0960-894X(01)80273-0
BindingDB Entry DOI: 10.7270/Q2ZS2WG1
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50283514
PNG
((1R,13S,16R,17R,22E)-1,17,23-trimethyl-21-(prop-2-...)
Show SMILES C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)C2CC[C@@](C)(O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10|
Show InChI InChI=1S/C40H48N2O14/c1-5-9-27-22-24(2)17-21-52-39(51)55-36(48)31-16-18-40(4,56-31)33(45)32(44)37(49)54-38(50)34(46)42-20-7-6-11-28(42)35(47)53-30(25(3)12-14-29(27)43)15-13-26-10-8-19-41-23-26/h5,8,10,19,22-23,25,27-28,30-31H,1,6-7,9,11-18,20-21H2,2-4H3/b24-22+/t25-,27?,28+,30-,31?,40-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
n/an/an/a 8.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards FK506 binding protein 12 as measured by displacement of a radiolabelled FK506 analogue

Bioorg Med Chem Lett 4: 2507-2510 (1994)


Article DOI: 10.1016/S0960-894X(01)80273-0
BindingDB Entry DOI: 10.7270/Q2ZS2WG1
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50283509
PNG
((1R,13S,16R,17R,22E)-17,23-dimethyl-21-(prop-2-en-...)
Show SMILES C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCCOC(=O)OC(=O)C2CC[C@@H](O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10|
Show InChI InChI=1S/C40H48N2O14/c1-4-9-27-22-24(2)10-8-21-52-40(51)56-37(48)32-18-17-31(53-32)33(44)34(45)38(49)55-39(50)35(46)42-20-6-5-12-28(42)36(47)54-30(25(3)13-15-29(27)43)16-14-26-11-7-19-41-23-26/h4,7,11,19,22-23,25,27-28,30-32H,1,5-6,8-10,12-18,20-21H2,2-3H3/b24-22+/t25-,27?,28+,30-,31-,32?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
n/an/an/a 200n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards FK506 binding protein 12 as measured by displacement of a radiolabelled FK506 analogue

Bioorg Med Chem Lett 4: 2507-2510 (1994)


Article DOI: 10.1016/S0960-894X(01)80273-0
BindingDB Entry DOI: 10.7270/Q2ZS2WG1
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50283513
PNG
((3R,4R,28aS)-4,10-dimethyl-8-(prop-2-en-1-yl)-3-[2...)
Show SMILES C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)CCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10|
Show InChI InChI=1S/C36H44N2O12/c1-4-8-26-21-23(2)17-20-47-36(46)49-31(41)16-14-29(40)34(44)50-35(45)32(42)38-19-6-5-10-27(38)33(43)48-30(24(3)11-13-28(26)39)15-12-25-9-7-18-37-22-25/h4,7,9,18,21-22,24,26-27,30H,1,5-6,8,10-17,19-20H2,2-3H3/b23-21+/t24-,26?,27+,30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
n/an/an/a 5.50E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards FK506 binding protein 12 as measured by displacement of a radiolabelled FK506 analogue

Bioorg Med Chem Lett 4: 2507-2510 (1994)


Article DOI: 10.1016/S0960-894X(01)80273-0
BindingDB Entry DOI: 10.7270/Q2ZS2WG1
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50283515
PNG
((1R,13S,16R,17R,22E)-1,17,23-trimethyl-21-(prop-2-...)
Show SMILES C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCCOC(=O)OC(=O)C2CC[C@@](C)(O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10|
Show InChI InChI=1S/C41H50N2O14/c1-5-10-28-23-25(2)11-9-22-53-40(52)56-37(49)32-18-19-41(4,57-32)34(46)33(45)38(50)55-39(51)35(47)43-21-7-6-13-29(43)36(48)54-31(26(3)14-16-30(28)44)17-15-27-12-8-20-42-24-27/h5,8,12,20,23-24,26,28-29,31-32H,1,6-7,9-11,13-19,21-22H2,2-4H3/b25-23+/t26-,28?,29+,31-,32?,41-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
n/an/an/a 4.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards FK506 binding protein 12 as measured by displacement of a radiolabelled FK506 analogue

Bioorg Med Chem Lett 4: 2507-2510 (1994)


Article DOI: 10.1016/S0960-894X(01)80273-0
BindingDB Entry DOI: 10.7270/Q2ZS2WG1
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50283512
PNG
((3R,4R,29aS)-4,10-dimethyl-8-(prop-2-en-1-yl)-3-[2...)
Show SMILES C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)CCCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10|
Show InChI InChI=1S/C37H46N2O12/c1-4-9-27-22-24(2)18-21-48-37(47)50-32(42)13-7-12-30(41)35(45)51-36(46)33(43)39-20-6-5-11-28(39)34(44)49-31(25(3)14-16-29(27)40)17-15-26-10-8-19-38-23-26/h4,8,10,19,22-23,25,27-28,31H,1,5-7,9,11-18,20-21H2,2-3H3/b24-22+/t25-,27?,28+,31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
n/an/an/a 2.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards FK506 binding protein 12 as measured by displacement of a radiolabelled FK506 analogue

Bioorg Med Chem Lett 4: 2507-2510 (1994)


Article DOI: 10.1016/S0960-894X(01)80273-0
BindingDB Entry DOI: 10.7270/Q2ZS2WG1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%