Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50000898   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.450	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 FKBP1B (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	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 FKBP1A (Homo sapiens (Human))	BDBM50263435 (CHEMBL4075704) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CC(N)=O)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,28:27:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C18H21Cl2N3O4S/c1-2-11-9-22(10-17(21)24)18(25)16-5-3-4-15(11)23(16)28(26,27)14-7-12(19)6-13(20)8-14/h2,6-8,11,15-16H,1,3-5,9-10H2,(H2,21,24)/t11-,15+,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	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 FKBP1A (Homo sapiens (Human))	BDBM50263422 (CHEMBL4072643) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CC(O)=O)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,28:27:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C18H20Cl2N2O5S/c1-2-11-9-21(10-17(23)24)18(25)16-5-3-4-15(11)22(16)28(26,27)14-7-12(19)6-13(20)8-14/h2,6-8,11,15-16H,1,3-5,9-10H2,(H,23,24)/t11-,15+,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	7	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 FKBP1A (Homo sapiens (Human))	BDBM50263416 (CHEMBL4067970) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CC(=O)OCC)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,30:29:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C20H24Cl2N2O5S/c1-3-13-11-23(12-19(25)29-4-2)20(26)18-7-5-6-17(13)24(18)30(27,28)16-9-14(21)8-15(22)10-16/h3,8-10,13,17-18H,1,4-7,11-12H2,2H3/t13-,17+,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	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 FKBP1A (Homo sapiens (Human))	BDBM50263421 (CHEMBL4101268) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CCN(C)C)C[C@H]2C=C |r,TLB:20:19:7:2.3.4,29:28:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C20H27Cl2N3O3S/c1-4-14-13-24(9-8-23(2)3)20(26)19-7-5-6-18(14)25(19)29(27,28)17-11-15(21)10-16(22)12-17/h4,10-12,14,18-19H,1,5-9,13H2,2-3H3/t14-,18-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	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 FKBP1A (Homo sapiens (Human))	BDBM50263420 (CHEMBL4102121) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CCNC)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,28:27:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C19H25Cl2N3O3S/c1-3-13-12-23(8-7-22-2)19(25)18-6-4-5-17(13)24(18)28(26,27)16-10-14(20)9-15(21)11-16/h3,9-11,13,17-18,22H,1,4-8,12H2,2H3/t13-,17+,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	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 FKBP1A (Homo sapiens (Human))	BDBM50263408 (CHEMBL4063858) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CCOc1ccc(OC)c(OC)c1)C[C@@H]2C=C |r,TLB:37:36:7:2.3.4,20:19:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C26H30Cl2N2O6S/c1-4-17-16-29(10-11-36-20-8-9-24(34-2)25(15-20)35-3)26(31)23-7-5-6-22(17)30(23)37(32,33)21-13-18(27)12-19(28)14-21/h4,8-9,12-15,17,22-23H,1,5-7,10-11,16H2,2-3H3/t17-,22+,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.80	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 FKBP1A (Homo sapiens (Human))	BDBM50263417 (CHEMBL4068304) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(Cc1ncccc1F)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,32:31:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C22H22Cl2FN3O3S/c1-2-14-12-27(13-19-18(25)5-4-8-26-19)22(29)21-7-3-6-20(14)28(21)32(30,31)17-10-15(23)9-16(24)11-17/h2,4-5,8-11,14,20-21H,1,3,6-7,12-13H2/t14-,20+,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	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 FKBP1A (Homo sapiens (Human))	BDBM50263424 (CHEMBL4077424) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CCOC)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,28:27:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C19H24Cl2N2O4S/c1-3-13-12-22(7-8-27-2)19(24)18-6-4-5-17(13)23(18)28(25,26)16-10-14(20)9-15(21)11-16/h3,9-11,13,17-18H,1,4-8,12H2,2H3/t13-,17+,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	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 FKBP4 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	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 FKBP1A (Homo sapiens (Human))	BDBM50263437 (CHEMBL4073944) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CCOCC)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,29:28:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C20H26Cl2N2O4S/c1-3-14-13-23(8-9-28-4-2)20(25)19-7-5-6-18(14)24(19)29(26,27)17-11-15(21)10-16(22)12-17/h3,10-12,14,18-19H,1,4-9,13H2,2H3/t14-,18+,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	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))	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 FKBP1A (Homo sapiens (Human))	BDBM50263439 (CHEMBL4076387) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CC#N)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,27:26:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C18H19Cl2N3O3S/c1-2-12-11-22(7-6-21)18(24)17-5-3-4-16(12)23(17)27(25,26)15-9-13(19)8-14(20)10-15/h2,8-10,12,16-17H,1,3-5,7,11H2/t12-,16+,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	49	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 FKBP1A (Homo sapiens (Human))	BDBM50263423 (CHEMBL4077610) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]2C=C |r,TLB:20:19:7:2.3.4,24:23:7:2.3.4| Show InChI InChI=1S/C16H18Cl2N2O3S/c1-2-10-9-19-16(21)15-5-3-4-14(10)20(15)24(22,23)13-7-11(17)6-12(18)8-13/h2,6-8,10,14-15H,1,3-5,9H2,(H,19,21)/t10-,14+,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	49	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 FKBP1A (Homo sapiens (Human))	BDBM50263436 (CHEMBL4075784) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(C)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,25:24:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C17H20Cl2N2O3S/c1-3-11-10-20(2)17(22)16-6-4-5-15(11)21(16)25(23,24)14-8-12(18)7-13(19)9-14/h3,7-9,11,15-16H,1,4-6,10H2,2H3/t11-,15+,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	49	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 FKBP1A (Homo sapiens (Human))	BDBM50263409 (CHEMBL4086695) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CC#C)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,27:26:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C19H20Cl2N2O3S/c1-3-8-22-12-13(4-2)17-6-5-7-18(19(22)24)23(17)27(25,26)16-10-14(20)9-15(21)11-16/h1,4,9-11,13,17-18H,2,5-8,12H2/t13-,17+,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	49	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 FKBP1A (Homo sapiens (Human))	BDBM50263394 (CHEMBL4069155) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CCF)C[C@H]2C=C |r,TLB:27:26:7:3.2.4,20:19:7:3.2.4,THB:22:21:7:3.2.4| Show InChI InChI=1S/C18H21Cl2FN2O3S/c1-2-12-11-22(7-6-21)18(24)17-5-3-4-16(12)23(17)27(25,26)15-9-13(19)8-14(20)10-15/h2,8-10,12,16-17H,1,3-7,11H2/t12-,16-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	49	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 FKBP2 (Homo sapiens)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	61	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 FKBP1A (Homo sapiens (Human))	BDBM50263414 (CHEMBL4104603) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CCCOC)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,29:28:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C20H26Cl2N2O4S/c1-3-14-13-23(8-5-9-28-2)20(25)19-7-4-6-18(14)24(19)29(26,27)17-11-15(21)10-16(22)12-17/h3,10-12,14,18-19H,1,4-9,13H2,2H3/t14-,18+,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	143	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 FKBP1A (Homo sapiens (Human))	BDBM50263415 (CHEMBL4072633) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CCCCOC)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,30:29:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C21H28Cl2N2O4S/c1-3-15-14-24(9-4-5-10-29-2)21(26)20-8-6-7-19(15)25(20)30(27,28)18-12-16(22)11-17(23)13-18/h3,11-13,15,19-20H,1,4-10,14H2,2H3/t15-,19+,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	249	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 Mip (Chlamydia pneumoniae)	BDBM50263406 (CHEMBL4089167) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(Cc1ccco1)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,30:29:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C21H22Cl2N2O4S/c1-2-14-12-24(13-17-5-4-8-29-17)21(26)20-7-3-6-19(14)25(20)30(27,28)18-10-15(22)9-16(23)11-18/h2,4-5,8-11,14,19-20H,1,3,6-7,12-13H2/t14-,19+,20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	315	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 Mip (Chlamydia pneumoniae)	BDBM50263405 (CHEMBL4062637) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(Cc1ccccn1)C[C@@H]2CC |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/C22H25Cl2N3O3S/c1-2-15-13-26(14-18-6-3-4-9-25-18)22(28)21-8-5-7-20(15)27(21)31(29,30)19-11-16(23)10-17(24)12-19/h3-4,6,9-12,15,20-21H,2,5,7-8,13-14H2,1H3/t15-,20+,21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	399	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
Outer membrane protein MIP (Legionella pneumophila)	BDBM50263405 (CHEMBL4062637) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(Cc1ccccn1)C[C@@H]2CC |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/C22H25Cl2N3O3S/c1-2-15-13-26(14-18-6-3-4-9-25-18)22(28)21-8-5-7-20(15)27(21)31(29,30)19-11-16(23)10-17(24)12-19/h3-4,6,9-12,15,20-21H,2,5,7-8,13-14H2,1H3/t15-,20+,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	598	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 FKBP3 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.13E+3	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
Outer membrane protein MIP (Legionella pneumophila)	BDBM50263406 (CHEMBL4089167) Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(Cc1ccco1)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,30:29:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C21H22Cl2N2O4S/c1-2-14-12-24(13-17-5-4-8-29-17)21(26)20-7-3-6-19(14)25(20)30(27,28)18-10-15(22)9-16(23)11-18/h2,4-5,8-11,14,19-20H,1,3,6-7,12-13H2/t14-,19+,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.59E+3	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