Compile Data Set for Download or QSAR

Found 105 hits of ki data for polymerid = 50006096   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM36609 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to human FKBP51 by competitive fluorescence polarization assay				J Med Chem 56: 3922-35 (2013) Article DOI: 10.1021/jm400087k BindingDB Entry DOI: 10.7270/Q2QZ2CC1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50125333 (CHEMBL3623612) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C42H53NO11/c1-48-34-20-18-27(22-35(34)49-2)17-19-33(29-14-11-15-31(23-29)53-26-38(44)45)54-42(47)32-16-9-10-21-43(32)41(46)39(28-12-7-6-8-13-28)30-24-36(50-3)40(52-5)37(25-30)51-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,44,45)/t32-,33+,39-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay				J Med Chem 59: 2410-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01355 BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50125333 (CHEMBL3623612) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C42H53NO11/c1-48-34-20-18-27(22-35(34)49-2)17-19-33(29-14-11-15-31(23-29)53-26-38(44)45)54-42(47)32-16-9-10-21-43(32)41(46)39(28-12-7-6-8-13-28)30-24-36(50-3)40(52-5)37(25-30)51-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,44,45)/t32-,33+,39-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Displacement of iFit-FL from FKBP51 (unknown origin) by fluorescence polarization assay				J Med Chem 58: 7796-806 (2015) Article DOI: 10.1021/acs.jmedchem.5b00785 BindingDB Entry DOI: 10.7270/Q25Q4XWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50125330 (CHEMBL3623630) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r| Show InChI InChI=1S/C46H62N2O10/c1-51-39-20-18-32(28-40(39)52-2)17-19-38(34-14-11-15-36(29-34)57-27-24-47-22-25-56-26-23-47)58-46(50)37-16-9-10-21-48(37)45(49)43(33-12-7-6-8-13-33)35-30-41(53-3)44(55-5)42(31-35)54-4/h11,14-15,18,20,28-31,33,37-38,43H,6-10,12-13,16-17,19,21-27H2,1-5H3/t37-,38+,43-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay				J Med Chem 59: 2410-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01355 BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50125330 (CHEMBL3623630) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r| Show InChI InChI=1S/C46H62N2O10/c1-51-39-20-18-32(28-40(39)52-2)17-19-38(34-14-11-15-36(29-34)57-27-24-47-22-25-56-26-23-47)58-46(50)37-16-9-10-21-48(37)45(49)43(33-12-7-6-8-13-33)35-30-41(53-3)44(55-5)42(31-35)54-4/h11,14-15,18,20,28-31,33,37-38,43H,6-10,12-13,16-17,19,21-27H2,1-5H3/t37-,38+,43-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Displacement of iFit-FL from FKBP51 (unknown origin) by fluorescence polarization assay				J Med Chem 58: 7796-806 (2015) Article DOI: 10.1021/acs.jmedchem.5b00785 BindingDB Entry DOI: 10.7270/Q25Q4XWR
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50263407 (CHEMBL4090599) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(Cc1ccccn1)C[C@@H]2COC |r,TLB:31:30:7:2.3.4,20:19:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C22H25Cl2N3O4S/c1-31-14-15-12-26(13-18-5-2-3-8-25-18)22(28)21-7-4-6-20(15)27(21)32(29,30)19-10-16(23)9-17(24)11-19/h2-3,5,8-11,15,20-21H,4,6-7,12-14H2,1H3/t15-,20-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Translational Research in Psychiatry , Max Planck Institute of Psychiatry , 80804 Munich , Germany. Curated by ChEMBL					Assay Description Displacement of 5-(3-(4-(((5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl)-1H-1,2,3-triazol-1-yl)prop...				J Med Chem 61: 3660-3673 (2018) Article DOI: 10.1021/acs.jmedchem.8b00137 BindingDB Entry DOI: 10.7270/Q2833VGW
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50162500 (CHEMBL3792975) Show SMILES COc1ccc(CC[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C42H54N2O10/c1-49-34-20-18-27(22-35(34)50-2)17-19-32(29-14-11-15-31(23-29)54-26-38(45)46)43-41(47)33-16-9-10-21-44(33)42(48)39(28-12-7-6-8-13-28)30-24-36(51-3)40(53-5)37(25-30)52-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,43,47)(H,45,46)/t32-,33+,39+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...				J Med Chem 59: 2410-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01355 BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50030448 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay				J Med Chem 59: 2410-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01355 BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50432752 (FK-506) Show SMILES CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C\[C@H](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)CC(C)=C[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |r| Show InChI InChI=1S/C45H71NO12/c1-10-13-32-21-26(2)20-27(3)22-38(55-8)41-39(56-9)23-29(5)45(53,58-41)42(50)43(51)46-19-12-11-14-33(46)44(52)57-40(30(6)35(48)25-36(32)49)28(4)15-16-31-17-18-34(47)37(24-31)54-7/h10,15-16,21,27-35,37-41,47-48,53H,1,11-14,17-20,22-25H2,2-9H3/b16-15+,26-21+/t27-,28-,29+,30+,31+,32+,33-,34+,35-,37+,38-,39-,40-,41+,45+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to human FKBP51 by competitive fluorescence polarization assay				J Med Chem 56: 3922-35 (2013) Article DOI: 10.1021/jm400087k BindingDB Entry DOI: 10.7270/Q2QZ2CC1
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50125332 (CHEMBL3623613) Show SMILES COc1cc(OC)cc(c1)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r| Show InChI InChI=1S/C41H51NO10/c1-47-32-23-30(24-33(25-32)48-2)39(28-11-6-5-7-12-28)40(45)42-20-9-8-15-34(42)41(46)52-35(29-13-10-14-31(22-29)51-26-38(43)44)18-16-27-17-19-36(49-3)37(21-27)50-4/h10,13-14,17,19,21-25,28,34-35,39H,5-9,11-12,15-16,18,20,26H2,1-4H3,(H,43,44)/t34-,35+,39-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Displacement of iFit-FL from FKBP51 (unknown origin) by fluorescence polarization assay				J Med Chem 58: 7796-806 (2015) Article DOI: 10.1021/acs.jmedchem.5b00785 BindingDB Entry DOI: 10.7270/Q25Q4XWR
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50162684 (CHEMBL3793603) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCC1)C(N)=O |r| Show InChI InChI=1S/C29H43N3O6/c1-36-22-17-20(18-23(37-2)25(22)38-3)24(19-11-5-4-6-12-19)27(34)32-16-10-7-13-21(32)26(33)31-29(28(30)35)14-8-9-15-29/h17-19,21,24H,4-16H2,1-3H3,(H2,30,35)(H,31,33)/t21-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...				J Med Chem 59: 2410-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01355 BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50125331 (CHEMBL3623614) Show SMILES COc1cccc(c1)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r| Show InChI InChI=1S/C40H49NO9/c1-46-31-15-10-14-30(25-31)38(28-11-5-4-6-12-28)39(44)41-22-8-7-17-33(41)40(45)50-34(29-13-9-16-32(24-29)49-26-37(42)43)20-18-27-19-21-35(47-2)36(23-27)48-3/h9-10,13-16,19,21,23-25,28,33-34,38H,4-8,11-12,17-18,20,22,26H2,1-3H3,(H,42,43)/t33-,34+,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Displacement of iFit-FL from FKBP51 (unknown origin) by fluorescence polarization assay				J Med Chem 58: 7796-806 (2015) Article DOI: 10.1021/acs.jmedchem.5b00785 BindingDB Entry DOI: 10.7270/Q25Q4XWR
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50388298 (CHEMBL2058794) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r| Show InChI InChI=1S/C35H42Cl2N2O9S/c1-44-32-12-10-24(20-33(32)45-2)9-11-31(25-6-5-7-26(21-25)47-19-16-38-14-17-46-18-15-38)48-35(41)30-8-3-4-13-39(30)49(42,43)27-22-28(36)34(40)29(37)23-27/h5-7,10,12,20-23,30-31,40H,3-4,8-9,11,13-19H2,1-2H3/t30-,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to human FKBP51 by competitive fluorescence polarization assay				J Med Chem 56: 3922-35 (2013) Article DOI: 10.1021/jm400087k BindingDB Entry DOI: 10.7270/Q2QZ2CC1
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50519836 (CHEMBL4588417) Show SMILES [H][C@@]12CCCC[C@@]1([H])C(=O)CC[C@H]2C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C40H54N2O8/c1-46-37-18-14-28(26-38(37)47-2)13-17-36(29-8-7-9-30(27-29)49-25-22-41-20-23-48-24-21-41)50-40(45)34-12-5-6-19-42(34)39(44)33-15-16-35(43)32-11-4-3-10-31(32)33/h7-9,14,18,26-27,31-34,36H,3-6,10-13,15-17,19-25H2,1-2H3/t31-,32-,33-,34+,36-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged/C-terminal FLAG tagged FKBP51 expressed in Escherichia coli BL21 (DE3) cells incubated for 30 m...				J Med Chem 63: 231-240 (2020) Article DOI: 10.1021/acs.jmedchem.9b01157 BindingDB Entry DOI: 10.7270/Q2Q52T10
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50519830 (CHEMBL4463025) Show SMILES [H][C@@]12CCCC[C@@]1([H])[C@@H](C[C@@H](O)[C@H]2O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C40H56N2O9/c1-47-36-16-14-27(24-37(36)48-2)13-15-35(28-8-7-9-29(25-28)50-23-20-41-18-21-49-22-19-41)51-40(46)33-12-5-6-17-42(33)39(45)32-26-34(43)38(44)31-11-4-3-10-30(31)32/h7-9,14,16,24-25,30-35,38,43-44H,3-6,10-13,15,17-23,26H2,1-2H3/t30-,31-,32-,33+,34-,35-,38+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged/C-terminal FLAG tagged FKBP51 expressed in Escherichia coli BL21 (DE3) cells incubated for 30 m...				J Med Chem 63: 231-240 (2020) Article DOI: 10.1021/acs.jmedchem.9b01157 BindingDB Entry DOI: 10.7270/Q2Q52T10
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50432732 (CHEMBL2348594) Show SMILES COc1ccc(OCCN2CCC3CCCC(N3S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)C2=O)cc1OC |TLB:32:31:17:13.14.15,8:9:17:13.14.15| Show InChI InChI=1S/C25H29N3O7S2/c1-33-21-9-6-17(14-22(21)34-2)35-13-12-27-11-10-16-4-3-5-20(24(27)29)28(16)37(31,32)18-7-8-19-23(15-18)36-25(30)26-19/h6-9,14-16,20H,3-5,10-13H2,1-2H3,(H,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to human FKBP51 by competitive fluorescence polarization assay				J Med Chem 56: 3922-35 (2013) Article DOI: 10.1021/jm400087k BindingDB Entry DOI: 10.7270/Q2QZ2CC1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50519832 (CHEMBL4456831) Show SMILES [H][C@@]12CCCC[C@@]1([H])C(=O)C[C@H](C)[C@H]2C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C41H56N2O8/c1-28-25-35(44)32-11-4-5-12-33(32)39(28)40(45)43-18-7-6-13-34(43)41(46)51-36(16-14-29-15-17-37(47-2)38(26-29)48-3)30-9-8-10-31(27-30)50-24-21-42-19-22-49-23-20-42/h8-10,15,17,26-28,32-34,36,39H,4-7,11-14,16,18-25H2,1-3H3/t28-,32+,33+,34-,36+,39+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged/C-terminal FLAG tagged FKBP51 expressed in Escherichia coli BL21 (DE3) cells incubated for 30 m...				J Med Chem 63: 231-240 (2020) Article DOI: 10.1021/acs.jmedchem.9b01157 BindingDB Entry DOI: 10.7270/Q2Q52T10
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50519831 (CHEMBL4576541) Show SMILES [H][C@@]12CCCC[C@@]1([H])[C@@H]([C@@H](C)CC2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r| Show InChI InChI=1S/C37H49NO8/c1-24-14-17-26-9-4-5-12-29(26)35(24)36(41)38-20-7-6-13-30(38)37(42)46-31(27-10-8-11-28(22-27)45-23-34(39)40)18-15-25-16-19-32(43-2)33(21-25)44-3/h8,10-11,16,19,21-22,24,26,29-31,35H,4-7,9,12-15,17-18,20,23H2,1-3H3,(H,39,40)/t24-,26-,29+,30-,31+,35+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged/C-terminal FLAG tagged FKBP51 expressed in Escherichia coli BL21 (DE3) cells incubated for 30 m...				J Med Chem 63: 231-240 (2020) Article DOI: 10.1021/acs.jmedchem.9b01157 BindingDB Entry DOI: 10.7270/Q2Q52T10
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50125329 (CHEMBL3623615) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C39H47NO8/c1-45-34-22-20-27(24-35(34)46-2)19-21-33(30-16-11-17-31(25-30)47-26-36(41)42)48-39(44)32-18-9-10-23-40(32)38(43)37(28-12-5-3-6-13-28)29-14-7-4-8-15-29/h3,5-6,11-13,16-17,20,22,24-25,29,32-33,37H,4,7-10,14-15,18-19,21,23,26H2,1-2H3,(H,41,42)/t32-,33+,37+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay				J Med Chem 58: 7796-806 (2015) Article DOI: 10.1021/acs.jmedchem.5b00785 BindingDB Entry DOI: 10.7270/Q25Q4XWR
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50519821 (CHEMBL4582138) Show SMILES [H][C@@]12CCCC[C@@]1([H])[C@@H](CCC2O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C40H56N2O8/c1-46-37-18-14-28(26-38(37)47-2)13-17-36(29-8-7-9-30(27-29)49-25-22-41-20-23-48-24-21-41)50-40(45)34-12-5-6-19-42(34)39(44)33-15-16-35(43)32-11-4-3-10-31(32)33/h7-9,14,18,26-27,31-36,43H,3-6,10-13,15-17,19-25H2,1-2H3/t31-,32-,33-,34+,35?,36-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged/C-terminal FLAG tagged FKBP51 expressed in Escherichia coli BL21 (DE3) cells incubated for 30 m...				J Med Chem 63: 231-240 (2020) Article DOI: 10.1021/acs.jmedchem.9b01157 BindingDB Entry DOI: 10.7270/Q2Q52T10
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50125257 (CHEMBL3623623) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H]([C@@H](C)O)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r| Show InChI InChI=1S/C39H56N2O8/c1-28(42)37(30-10-5-4-6-11-30)38(43)41-19-8-7-14-33(41)39(44)49-34(17-15-29-16-18-35(45-2)36(26-29)46-3)31-12-9-13-32(27-31)48-25-22-40-20-23-47-24-21-40/h9,12-13,16,18,26-28,30,33-34,37,42H,4-8,10-11,14-15,17,19-25H2,1-3H3/t28-,33+,34-,37-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay				J Med Chem 58: 7796-806 (2015) Article DOI: 10.1021/acs.jmedchem.5b00785 BindingDB Entry DOI: 10.7270/Q25Q4XWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50162701 (CHEMBL3794209) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCC1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C31H46N4O7/c1-40-23-17-21(18-24(41-2)27(23)42-3)26(20-11-5-4-6-12-20)29(38)35-16-10-7-13-22(35)28(37)34-31(14-8-9-15-31)30(39)33-19-25(32)36/h17-18,20,22,26H,4-16,19H2,1-3H3,(H2,32,36)(H,33,39)(H,34,37)/t22-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...				J Med Chem 59: 2410-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01355 BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50519822 (CHEMBL4454363) Show SMILES [H][C@@]12CCCC[C@@]1([H])[C@@H](CCC2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r| Show InChI InChI=1S/C36H47NO8/c1-42-32-19-17-24(21-33(32)43-2)16-18-31(26-11-7-12-27(22-26)44-23-34(38)39)45-36(41)30-15-5-6-20-37(30)35(40)29-14-8-10-25-9-3-4-13-28(25)29/h7,11-12,17,19,21-22,25,28-31H,3-6,8-10,13-16,18,20,23H2,1-2H3,(H,38,39)/t25-,28+,29+,30-,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged/C-terminal FLAG tagged FKBP51 expressed in Escherichia coli BL21 (DE3) cells incubated for 30 m...				J Med Chem 63: 231-240 (2020) Article DOI: 10.1021/acs.jmedchem.9b01157 BindingDB Entry DOI: 10.7270/Q2Q52T10
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50432740 (CHEMBL2348599) Show SMILES COc1ccc(OCCN2CCC3CCCC(N3S(=O)(=O)c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1OC |TLB:31:30:17:13.14.15,8:9:17:13.14.15| Show InChI InChI=1S/C24H28Cl2N2O7S/c1-33-21-7-6-16(12-22(21)34-2)35-11-10-27-9-8-15-4-3-5-20(24(27)30)28(15)36(31,32)17-13-18(25)23(29)19(26)14-17/h6-7,12-15,20,29H,3-5,8-11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to human FKBP51 by competitive fluorescence polarization assay				J Med Chem 56: 3922-35 (2013) Article DOI: 10.1021/jm400087k BindingDB Entry DOI: 10.7270/Q2QZ2CC1
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50125338 (CHEMBL3623625) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H]([C@H](O)\C=C\C)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r| Show InChI InChI=1S/C41H58N2O8/c1-4-11-35(44)39(31-12-6-5-7-13-31)40(45)43-21-9-8-16-34(43)41(46)51-36(19-17-30-18-20-37(47-2)38(28-30)48-3)32-14-10-15-33(29-32)50-27-24-42-22-25-49-26-23-42/h4,10-11,14-15,18,20,28-29,31,34-36,39,44H,5-9,12-13,16-17,19,21-27H2,1-3H3/b11-4+/t34-,35+,36+,39-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay				J Med Chem 58: 7796-806 (2015) Article DOI: 10.1021/acs.jmedchem.5b00785 BindingDB Entry DOI: 10.7270/Q25Q4XWR
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50125327 (CHEMBL3623617) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C34H45NO8/c1-23(25-10-5-4-6-11-25)33(38)35-19-8-7-14-28(35)34(39)43-29(26-12-9-13-27(21-26)42-22-32(36)37)17-15-24-16-18-30(40-2)31(20-24)41-3/h9,12-13,16,18,20-21,23,25,28-29H,4-8,10-11,14-15,17,19,22H2,1-3H3,(H,36,37)/t23-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay				J Med Chem 58: 7796-806 (2015) Article DOI: 10.1021/acs.jmedchem.5b00785 BindingDB Entry DOI: 10.7270/Q25Q4XWR
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50432748 (CHEMBL2348587) Show SMILES COc1ccc(OCCN2CC3CCCC(N3S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2=O)cc1OC |TLB:8:9:16:12.13.14,THB:29:28:16:12.13.14| Show InChI InChI=1S/C23H26Cl2N2O6S/c1-31-21-7-6-18(13-22(21)32-2)33-9-8-26-14-17-4-3-5-20(23(26)28)27(17)34(29,30)19-11-15(24)10-16(25)12-19/h6-7,10-13,17,20H,3-5,8-9,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to human FKBP51 by competitive fluorescence polarization assay				J Med Chem 56: 3922-35 (2013) Article DOI: 10.1021/jm400087k BindingDB Entry DOI: 10.7270/Q2QZ2CC1
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50519825 (CHEMBL4472069) Show SMILES [H][C@@]12CCCC[C@@]1([H])[C@@H](CC(=O)C2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C40H54N2O8/c1-46-37-16-14-28(24-38(37)47-2)13-15-36(30-9-7-10-32(26-30)49-23-20-41-18-21-48-22-19-41)50-40(45)35-12-5-6-17-42(35)39(44)34-27-31(43)25-29-8-3-4-11-33(29)34/h7,9-10,14,16,24,26,29,33-36H,3-6,8,11-13,15,17-23,25,27H2,1-2H3/t29-,33+,34+,35-,36+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged/C-terminal FLAG tagged FKBP51 expressed in Escherichia coli BL21 (DE3) cells incubated for 30 m...				J Med Chem 63: 231-240 (2020) Article DOI: 10.1021/acs.jmedchem.9b01157 BindingDB Entry DOI: 10.7270/Q2Q52T10
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50162670 (CHEMBL3794574) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H43N3O6/c1-39-26-19-23(20-27(40-2)29(26)41-3)28(22-14-8-5-9-15-22)32(38)35-17-11-10-16-25(35)31(37)34-24(30(33)36)18-21-12-6-4-7-13-21/h4,6-7,12-13,19-20,22,24-25,28H,5,8-11,14-18H2,1-3H3,(H2,33,36)(H,34,37)/t24-,25+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...				J Med Chem 59: 2410-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01355 BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50162668 (CHEMBL3793810) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H41N3O6/c1-38-24-18-22(19-25(39-2)28(24)40-3)26(20-12-6-4-7-13-20)31(37)34-17-11-10-16-23(34)30(36)33-27(29(32)35)21-14-8-5-9-15-21/h5,8-9,14-15,18-20,23,26-27H,4,6-7,10-13,16-17H2,1-3H3,(H2,32,35)(H,33,36)/t23-,26-,27+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...				J Med Chem 59: 2410-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01355 BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50162699 (CHEMBL3794186) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCOCC1)C(N)=O |r| Show InChI InChI=1S/C29H43N3O7/c1-36-22-17-20(18-23(37-2)25(22)38-3)24(19-9-5-4-6-10-19)27(34)32-14-8-7-11-21(32)26(33)31-29(28(30)35)12-15-39-16-13-29/h17-19,21,24H,4-16H2,1-3H3,(H2,30,35)(H,31,33)/t21-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...				J Med Chem 59: 2410-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01355 BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50162685 (CHEMBL3792510) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCCC1)C(N)=O |r| Show InChI InChI=1S/C30H45N3O6/c1-37-23-18-21(19-24(38-2)26(23)39-3)25(20-12-6-4-7-13-20)28(35)33-17-11-8-14-22(33)27(34)32-30(29(31)36)15-9-5-10-16-30/h18-20,22,25H,4-17H2,1-3H3,(H2,31,36)(H,32,34)/t22-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...				J Med Chem 59: 2410-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01355 BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50519837 (CHEMBL4576077) Show SMILES [H][C@@]12CCCC[C@@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r,c:12| Show InChI InChI=1S/C41H56N2O7/c1-29-14-17-31-9-4-5-12-34(31)39(29)40(44)43-20-7-6-13-35(43)41(45)50-36(18-15-30-16-19-37(46-2)38(27-30)47-3)32-10-8-11-33(28-32)49-26-23-42-21-24-48-25-22-42/h8,10-11,14,16-17,19,27-29,31,34-36,39H,4-7,9,12-13,15,18,20-26H2,1-3H3/t29-,31-,34+,35-,36+,39+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged/C-terminal FLAG tagged FKBP51 expressed in Escherichia coli BL21 (DE3) cells incubated for 30 m...				J Med Chem 63: 231-240 (2020) Article DOI: 10.1021/acs.jmedchem.9b01157 BindingDB Entry DOI: 10.7270/Q2Q52T10
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50125261 (CHEMBL3623622) Show SMILES COCO[C@H](C)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C41H60N2O9/c1-30(51-29-46-2)39(32-11-6-5-7-12-32)40(44)43-20-9-8-15-35(43)41(45)52-36(18-16-31-17-19-37(47-3)38(27-31)48-4)33-13-10-14-34(28-33)50-26-23-42-21-24-49-25-22-42/h10,13-14,17,19,27-28,30,32,35-36,39H,5-9,11-12,15-16,18,20-26,29H2,1-4H3/t30-,35+,36-,39-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay				J Med Chem 58: 7796-806 (2015) Article DOI: 10.1021/acs.jmedchem.5b00785 BindingDB Entry DOI: 10.7270/Q25Q4XWR
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50125324 (CHEMBL3623620) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CO)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r| Show InChI InChI=1S/C38H54N2O8/c1-44-35-17-15-28(25-36(35)45-2)14-16-34(30-11-8-12-31(26-30)47-24-21-39-19-22-46-23-20-39)48-38(43)33-13-6-7-18-40(33)37(42)32(27-41)29-9-4-3-5-10-29/h8,11-12,15,17,25-26,29,32-34,41H,3-7,9-10,13-14,16,18-24,27H2,1-2H3/t32-,33+,34-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay				J Med Chem 58: 7796-806 (2015) Article DOI: 10.1021/acs.jmedchem.5b00785 BindingDB Entry DOI: 10.7270/Q25Q4XWR
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50519823 (CHEMBL4458102) Show SMILES [H][C@@]12CCCC[C@@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r,c:12| Show InChI InChI=1S/C37H47NO8/c1-24-14-17-26-9-4-5-12-29(26)35(24)36(41)38-20-7-6-13-30(38)37(42)46-31(27-10-8-11-28(22-27)45-23-34(39)40)18-15-25-16-19-32(43-2)33(21-25)44-3/h8,10-11,14,16-17,19,21-22,24,26,29-31,35H,4-7,9,12-13,15,18,20,23H2,1-3H3,(H,39,40)/t24-,26-,29+,30-,31+,35+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged/C-terminal FLAG tagged FKBP51 expressed in Escherichia coli BL21 (DE3) cells incubated for 30 m...				J Med Chem 63: 231-240 (2020) Article DOI: 10.1021/acs.jmedchem.9b01157 BindingDB Entry DOI: 10.7270/Q2Q52T10
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50125323 (CHEMBL3623621) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](COC(C)=O)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r| Show InChI InChI=1S/C40H56N2O9/c1-29(43)50-28-34(31-10-5-4-6-11-31)39(44)42-19-8-7-14-35(42)40(45)51-36(17-15-30-16-18-37(46-2)38(26-30)47-3)32-12-9-13-33(27-32)49-25-22-41-20-23-48-24-21-41/h9,12-13,16,18,26-27,31,34-36H,4-8,10-11,14-15,17,19-25,28H2,1-3H3/t34-,35+,36-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay				J Med Chem 58: 7796-806 (2015) Article DOI: 10.1021/acs.jmedchem.5b00785 BindingDB Entry DOI: 10.7270/Q25Q4XWR
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50432745 (CHEMBL2348591) Show SMILES COc1ccc(OCCN2CCC3CCCC(N3S(=O)(=O)c3ccc4ncsc4c3)C2=O)cc1OC |TLB:31:30:17:13.14.15,8:9:17:13.14.15| Show InChI InChI=1S/C25H29N3O6S2/c1-32-22-9-6-18(14-23(22)33-2)34-13-12-27-11-10-17-4-3-5-21(25(27)29)28(17)36(30,31)19-7-8-20-24(15-19)35-16-26-20/h6-9,14-17,21H,3-5,10-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to human FKBP51 by competitive fluorescence polarization assay				J Med Chem 56: 3922-35 (2013) Article DOI: 10.1021/jm400087k BindingDB Entry DOI: 10.7270/Q2QZ2CC1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50162659 (CHEMBL3793853) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC(C)(C)C(N)=O |r| Show InChI InChI=1S/C27H41N3O6/c1-27(2,26(28)33)29-24(31)19-13-9-10-14-30(19)25(32)22(17-11-7-6-8-12-17)18-15-20(34-3)23(36-5)21(16-18)35-4/h15-17,19,22H,6-14H2,1-5H3,(H2,28,33)(H,29,31)/t19-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...				J Med Chem 59: 2410-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01355 BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50519829 (CHEMBL4544909) Show SMILES [H][C@@]12CCCC[C@@]1([H])[C@@H](CC=C2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r,c:11| Show InChI InChI=1S/C36H45NO8/c1-42-32-19-17-24(21-33(32)43-2)16-18-31(26-11-7-12-27(22-26)44-23-34(38)39)45-36(41)30-15-5-6-20-37(30)35(40)29-14-8-10-25-9-3-4-13-28(25)29/h7-8,10-12,17,19,21-22,25,28-31H,3-6,9,13-16,18,20,23H2,1-2H3,(H,38,39)/t25-,28+,29+,30-,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged/C-terminal FLAG tagged FKBP51 expressed in Escherichia coli BL21 (DE3) cells incubated for 30 m...				J Med Chem 63: 231-240 (2020) Article DOI: 10.1021/acs.jmedchem.9b01157 BindingDB Entry DOI: 10.7270/Q2Q52T10
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50125363 (CHEMBL3623624) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)C(C)=O)c2cccc(OCCN3CCOCC3)c2)cc1OC |r| Show InChI InChI=1S/C39H54N2O8/c1-28(42)37(30-10-5-4-6-11-30)38(43)41-19-8-7-14-33(41)39(44)49-34(17-15-29-16-18-35(45-2)36(26-29)46-3)31-12-9-13-32(27-31)48-25-22-40-20-23-47-24-21-40/h9,12-13,16,18,26-27,30,33-34,37H,4-8,10-11,14-15,17,19-25H2,1-3H3/t33-,34+,37+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay				J Med Chem 58: 7796-806 (2015) Article DOI: 10.1021/acs.jmedchem.5b00785 BindingDB Entry DOI: 10.7270/Q25Q4XWR
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50519833 (CHEMBL4455851) Show SMILES [H][C@@]12CCCC[C@@]1([H])[C@@H](CC=C2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r,c:11| Show InChI InChI=1S/C40H54N2O7/c1-45-37-19-17-29(27-38(37)46-2)16-18-36(31-11-7-12-32(28-31)48-26-23-41-21-24-47-25-22-41)49-40(44)35-15-5-6-20-42(35)39(43)34-14-8-10-30-9-3-4-13-33(30)34/h7-8,10-12,17,19,27-28,30,33-36H,3-6,9,13-16,18,20-26H2,1-2H3/t30-,33+,34+,35-,36+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged/C-terminal FLAG tagged FKBP51 expressed in Escherichia coli BL21 (DE3) cells incubated for 30 m...				J Med Chem 63: 231-240 (2020) Article DOI: 10.1021/acs.jmedchem.9b01157 BindingDB Entry DOI: 10.7270/Q2Q52T10
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50519827 (CHEMBL4529763) Show SMILES [H][C@@]12CCC[C@@]1([H])[C@@H](CCC2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r| Show InChI InChI=1S/C35H45NO8/c1-41-31-18-16-23(20-32(31)42-2)15-17-30(25-10-5-11-26(21-25)43-22-33(37)38)44-35(40)29-14-3-4-19-36(29)34(39)28-13-7-9-24-8-6-12-27(24)28/h5,10-11,16,18,20-21,24,27-30H,3-4,6-9,12-15,17,19,22H2,1-2H3,(H,37,38)/t24-,27+,28+,29-,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged/C-terminal FLAG tagged FKBP51 expressed in Escherichia coli BL21 (DE3) cells incubated for 30 m...				J Med Chem 63: 231-240 (2020) Article DOI: 10.1021/acs.jmedchem.9b01157 BindingDB Entry DOI: 10.7270/Q2Q52T10
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50132556 ((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...) Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C32H41NO9/c1-6-32(2,3)29(36)30(37)33-17-8-7-12-24(33)31(38)42-25(22-10-9-11-23(19-22)41-20-28(34)35)15-13-21-14-16-26(39-4)27(18-21)40-5/h9-11,14,16,18-19,24-25H,6-8,12-13,15,17,20H2,1-5H3,(H,34,35)/t24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to human FKBP51 by competitive fluorescence polarization assay				J Med Chem 56: 3922-35 (2013) Article DOI: 10.1021/jm400087k BindingDB Entry DOI: 10.7270/Q2QZ2CC1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50162675 (CHEMBL3792788) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CO)C(N)=O |r| Show InChI InChI=1S/C26H39N3O7/c1-34-20-13-17(14-21(35-2)23(20)36-3)22(16-9-5-4-6-10-16)26(33)29-12-8-7-11-19(29)25(32)28-18(15-30)24(27)31/h13-14,16,18-19,22,30H,4-12,15H2,1-3H3,(H2,27,31)(H,28,32)/t18-,19+,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...				J Med Chem 59: 2410-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01355 BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50162667 (CHEMBL3793643) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H41N3O6/c1-38-24-18-22(19-25(39-2)28(24)40-3)26(20-12-6-4-7-13-20)31(37)34-17-11-10-16-23(34)30(36)33-27(29(32)35)21-14-8-5-9-15-21/h5,8-9,14-15,18-20,23,26-27H,4,6-7,10-13,16-17H2,1-3H3,(H2,32,35)(H,33,36)/t23-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...				J Med Chem 59: 2410-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01355 BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50519826 (CHEMBL4529116) Show SMILES [H][C@@]12CCC[C@@]1([H])C(=O)CC[C@H]2C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r| Show InChI InChI=1S/C35H43NO9/c1-42-31-17-13-22(19-32(31)43-2)12-16-30(23-7-5-8-24(20-23)44-21-33(38)39)45-35(41)28-11-3-4-18-36(28)34(40)27-14-15-29(37)26-10-6-9-25(26)27/h5,7-8,13,17,19-20,25-28,30H,3-4,6,9-12,14-16,18,21H2,1-2H3,(H,38,39)/t25-,26-,27-,28+,30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged/C-terminal FLAG tagged FKBP51 expressed in Escherichia coli BL21 (DE3) cells incubated for 30 m...				J Med Chem 63: 231-240 (2020) Article DOI: 10.1021/acs.jmedchem.9b01157 BindingDB Entry DOI: 10.7270/Q2Q52T10
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50162665 (CHEMBL3793981) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C1CCCCC1)c1cc(OC)c(OC)c(OC)c1)C(N)=O |r| Show InChI InChI=1S/C29H45N3O6/c1-6-18(2)25(27(30)33)31-28(34)21-14-10-11-15-32(21)29(35)24(19-12-8-7-9-13-19)20-16-22(36-3)26(38-5)23(17-20)37-4/h16-19,21,24-25H,6-15H2,1-5H3,(H2,30,33)(H,31,34)/t18-,21+,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...				J Med Chem 59: 2410-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01355 BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50125328 (CHEMBL3623616) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC=C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C36H47NO8/c1-4-11-29(26-12-6-5-7-13-26)35(40)37-21-9-8-16-30(37)36(41)45-31(27-14-10-15-28(23-27)44-24-34(38)39)19-17-25-18-20-32(42-2)33(22-25)43-3/h4,10,14-15,18,20,22-23,26,29-31H,1,5-9,11-13,16-17,19,21,24H2,2-3H3,(H,38,39)/t29-,30+,31-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay				J Med Chem 58: 7796-806 (2015) Article DOI: 10.1021/acs.jmedchem.5b00785 BindingDB Entry DOI: 10.7270/Q25Q4XWR
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50162679 (CHEMBL3794273) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CCC(N)=O)C(N)=O |r| Show InChI InChI=1S/C28H42N4O7/c1-37-21-15-18(16-22(38-2)25(21)39-3)24(17-9-5-4-6-10-17)28(36)32-14-8-7-11-20(32)27(35)31-19(26(30)34)12-13-23(29)33/h15-17,19-20,24H,4-14H2,1-3H3,(H2,29,33)(H2,30,34)(H,31,35)/t19-,20+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...				J Med Chem 59: 2410-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01355 BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair

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