Compile Data Set for Download or QSAR

Found 762 hits with Last Name = 'kleemann' and Initial = 'h'   

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
Renin (Homo sapiens (Human))	BDBM50045686 (4-(4-Amino-piperidin-1-yl)-N-[1-(1-cyclohexylmethy...) Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C43H57N7O5/c44-33-18-21-50(22-19-33)40(52)25-32(24-31-13-8-12-30-11-4-5-15-36(30)31)42(54)49-38(26-35-27-45-28-47-35)43(55)48-37(23-29-9-2-1-3-10-29)41(53)39(51)17-16-34-14-6-7-20-46-34/h4-8,11-15,20,27-29,32-33,37-39,41,51,53H,1-3,9-10,16-19,21-26,44H2,(H,45,47)(H,48,55)(H,49,54)/t32-,37+,38+,39+,41-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045691 (CHEMBL94827 | Methyl-{2-[methyl-(morpholine-4-carb...) Show SMILES CN(CCN(C)C(=O)N1CCOCC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C42H60N8O8/c1-48(41(55)50-21-23-57-24-22-50)19-20-49(2)42(56)58-37(26-31-13-7-4-8-14-31)40(54)47-35(27-33-28-43-29-45-33)39(53)46-34(25-30-11-5-3-6-12-30)38(52)36(51)17-16-32-15-9-10-18-44-32/h4,7-10,13-15,18,28-30,34-38,51-52H,3,5-6,11-12,16-17,19-27H2,1-2H3,(H,43,45)(H,46,53)(H,47,54)/t34-,35-,36-,37-,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045691 (CHEMBL94827 | Methyl-{2-[methyl-(morpholine-4-carb...) Show SMILES CN(CCN(C)C(=O)N1CCOCC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C42H60N8O8/c1-48(41(55)50-21-23-57-24-22-50)19-20-49(2)42(56)58-37(26-31-13-7-4-8-14-31)40(54)47-35(27-33-28-43-29-45-33)39(53)46-34(25-30-11-5-3-6-12-30)38(52)36(51)17-16-32-15-9-10-18-44-32/h4,7-10,13-15,18,28-30,34-38,51-52H,3,5-6,11-12,16-17,19-27H2,1-2H3,(H,43,45)(H,46,53)(H,47,54)/t34-,35-,36-,37-,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045687 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) Show SMILES CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C37H53N5O6S/c1-37(2,3)49(47,48)24-28(20-26-12-6-4-7-13-26)35(45)42-32(22-30-23-38-25-40-30)36(46)41-31(21-27-14-8-5-9-15-27)34(44)33(43)18-17-29-16-10-11-19-39-29/h4,6-7,10-13,16,19,23,25,27-28,31-34,43-44H,5,8-9,14-15,17-18,20-22,24H2,1-3H3,(H,38,40)(H,41,46)(H,42,45)/t28-,31+,32+,33+,34-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50045683 (4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...) Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C39H55N7O5/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50)/t29-,33+,34+,35+,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045685 (4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...) Show SMILES CSC[C@H](NC(=O)[C@@H](CC(=O)N1CCC(N)CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C37H55N5O5S/c1-48-25-32(41-36(46)28(22-26-10-4-2-5-11-26)24-34(44)42-20-17-29(38)18-21-42)37(47)40-31(23-27-12-6-3-7-13-27)35(45)33(43)16-15-30-14-8-9-19-39-30/h2,4-5,8-11,14,19,27-29,31-33,35,43,45H,3,6-7,12-13,15-18,20-25,38H2,1H3,(H,40,47)(H,41,46)/t28-,31+,32+,33+,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045685 (4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...) Show SMILES CSC[C@H](NC(=O)[C@@H](CC(=O)N1CCC(N)CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C37H55N5O5S/c1-48-25-32(41-36(46)28(22-26-10-4-2-5-11-26)24-34(44)42-20-17-29(38)18-21-42)37(47)40-31(23-27-12-6-3-7-13-27)35(45)33(43)16-15-30-14-8-9-19-39-30/h2,4-5,8-11,14,19,27-29,31-33,35,43,45H,3,6-7,12-13,15-18,20-25,38H2,1H3,(H,40,47)(H,41,46)/t28-,31+,32+,33+,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045692 (3-(4-Amino-cyclohexanesulfonyl)-2-benzyl-N-[1-(1-c...) Show SMILES N[C@H]1CC[C@H](CC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 |wU:11.11,32.34,4.7,1.0,42.46,wD:22.23,40.44,(-.88,-15.35,;.47,-14.59,;.5,-13.05,;1.83,-12.3,;3.16,-13.09,;3.13,-14.63,;1.8,-15.38,;4.49,-12.33,;3.39,-11.23,;5.58,-11.23,;5.82,-13.11,;7.17,-12.34,;7.17,-10.8,;6.4,-9.47,;7.17,-8.12,;6.38,-6.77,;4.84,-6.79,;4.07,-8.14,;4.84,-9.47,;8.5,-13.12,;8.48,-14.66,;9.83,-12.37,;11.16,-13.14,;11.14,-14.68,;12.47,-15.45,;13.89,-14.84,;14.92,-15.99,;14.12,-17.32,;12.63,-16.99,;12.49,-12.37,;12.51,-10.83,;13.82,-13.14,;15.17,-12.39,;15.17,-10.85,;15.94,-9.52,;15.17,-8.17,;15.94,-6.84,;17.48,-6.86,;18.25,-8.17,;17.48,-9.52,;16.5,-13.16,;16.48,-14.7,;17.83,-12.41,;17.83,-10.87,;19.16,-13.18,;20.49,-12.42,;21.82,-13.21,;21.82,-14.75,;23.15,-15.52,;24.48,-14.77,;24.48,-13.21,;23.15,-12.44,)| Show InChI InChI=1S/C39H56N6O6S/c40-30-14-17-33(18-15-30)52(50,51)25-29(21-27-9-3-1-4-10-27)38(48)45-35(23-32-24-41-26-43-32)39(49)44-34(22-28-11-5-2-6-12-28)37(47)36(46)19-16-31-13-7-8-20-42-31/h1,3-4,7-10,13,20,24,26,28-30,33-37,46-47H,2,5-6,11-12,14-19,21-23,25,40H2,(H,41,43)(H,44,49)(H,45,48)/t29-,30-,33+,34+,35+,36+,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50045692 (3-(4-Amino-cyclohexanesulfonyl)-2-benzyl-N-[1-(1-c...) Show SMILES N[C@H]1CC[C@H](CC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 |wU:11.11,32.34,4.7,1.0,42.46,wD:22.23,40.44,(-.88,-15.35,;.47,-14.59,;.5,-13.05,;1.83,-12.3,;3.16,-13.09,;3.13,-14.63,;1.8,-15.38,;4.49,-12.33,;3.39,-11.23,;5.58,-11.23,;5.82,-13.11,;7.17,-12.34,;7.17,-10.8,;6.4,-9.47,;7.17,-8.12,;6.38,-6.77,;4.84,-6.79,;4.07,-8.14,;4.84,-9.47,;8.5,-13.12,;8.48,-14.66,;9.83,-12.37,;11.16,-13.14,;11.14,-14.68,;12.47,-15.45,;13.89,-14.84,;14.92,-15.99,;14.12,-17.32,;12.63,-16.99,;12.49,-12.37,;12.51,-10.83,;13.82,-13.14,;15.17,-12.39,;15.17,-10.85,;15.94,-9.52,;15.17,-8.17,;15.94,-6.84,;17.48,-6.86,;18.25,-8.17,;17.48,-9.52,;16.5,-13.16,;16.48,-14.7,;17.83,-12.41,;17.83,-10.87,;19.16,-13.18,;20.49,-12.42,;21.82,-13.21,;21.82,-14.75,;23.15,-15.52,;24.48,-14.77,;24.48,-13.21,;23.15,-12.44,)| Show InChI InChI=1S/C39H56N6O6S/c40-30-14-17-33(18-15-30)52(50,51)25-29(21-27-9-3-1-4-10-27)38(48)45-35(23-32-24-41-26-43-32)39(49)44-34(22-28-11-5-2-6-12-28)37(47)36(46)19-16-31-13-7-8-20-42-31/h1,3-4,7-10,13,20,24,26,28-30,33-37,46-47H,2,5-6,11-12,14-19,21-23,25,40H2,(H,41,43)(H,44,49)(H,45,48)/t29-,30-,33+,34+,35+,36+,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50045693 (4-Amino-piperidine-1-carboxylic acid 1-[1-(1-cyclo...) Show SMILES NC1CCN(CC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C38H53N7O6/c39-28-16-19-45(20-17-28)38(50)51-34(22-27-11-5-2-6-12-27)37(49)44-32(23-30-24-40-25-42-30)36(48)43-31(21-26-9-3-1-4-10-26)35(47)33(46)15-14-29-13-7-8-18-41-29/h2,5-8,11-13,18,24-26,28,31-35,46-47H,1,3-4,9-10,14-17,19-23,39H2,(H,40,42)(H,43,48)(H,44,49)/t31-,32-,33-,34-,35+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045693 (4-Amino-piperidine-1-carboxylic acid 1-[1-(1-cyclo...) Show SMILES NC1CCN(CC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C38H53N7O6/c39-28-16-19-45(20-17-28)38(50)51-34(22-27-11-5-2-6-12-27)37(49)44-32(23-30-24-40-25-42-30)36(48)43-31(21-26-9-3-1-4-10-26)35(47)33(46)15-14-29-13-7-8-18-41-29/h2,5-8,11-13,18,24-26,28,31-35,46-47H,1,3-4,9-10,14-17,19-23,39H2,(H,40,42)(H,43,48)(H,44,49)/t31-,32-,33-,34-,35+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045683 (4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...) Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C39H55N7O5/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50)/t29-,33+,34+,35+,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045683 (4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...) Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C39H55N7O5/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50)/t29-,33+,34+,35+,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045687 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) Show SMILES CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C37H53N5O6S/c1-37(2,3)49(47,48)24-28(20-26-12-6-4-7-13-26)35(45)42-32(22-30-23-38-25-40-30)36(46)41-31(21-27-14-8-5-9-15-27)34(44)33(43)18-17-29-16-10-11-19-39-29/h4,6-7,10-13,16,19,23,25,27-28,31-34,43-44H,5,8-9,14-15,17-18,20-22,24H2,1-3H3,(H,38,40)(H,41,46)(H,42,45)/t28-,31+,32+,33+,34-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50045681 (4-Amino-cyclohexanecarboxylic acid {1-[1-(1-cycloh...) Show SMILES N[C@H]1CC[C@H](CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 |wU:31.33,10.10,4.7,1.0,41.45,wD:21.22,39.43,(-.88,-15.35,;.47,-14.59,;.5,-13.05,;1.83,-12.3,;3.16,-13.09,;3.13,-14.63,;1.8,-15.38,;4.49,-12.33,;4.51,-10.79,;5.82,-13.11,;7.17,-12.34,;7.17,-10.8,;6.4,-9.47,;4.84,-9.47,;4.07,-8.14,;4.84,-6.79,;6.38,-6.77,;7.17,-8.12,;8.5,-13.12,;8.48,-14.66,;9.83,-12.37,;11.16,-13.14,;11.14,-14.68,;12.47,-15.45,;13.89,-14.84,;14.92,-15.99,;14.12,-17.32,;12.63,-16.99,;12.49,-12.37,;12.51,-10.83,;13.82,-13.14,;15.17,-12.39,;15.17,-10.85,;15.94,-9.52,;17.48,-9.52,;18.25,-8.17,;17.48,-6.86,;15.94,-6.84,;15.17,-8.17,;16.5,-13.16,;16.48,-14.7,;17.83,-12.41,;17.83,-10.87,;19.16,-13.18,;20.49,-12.42,;21.82,-13.21,;21.82,-14.75,;23.15,-15.52,;24.48,-14.77,;24.48,-13.21,;23.15,-12.44,)| Show InChI InChI=1S/C39H55N7O5/c40-29-16-14-28(15-17-29)37(49)45-33(22-27-11-5-2-6-12-27)38(50)46-34(23-31-24-41-25-43-31)39(51)44-32(21-26-9-3-1-4-10-26)36(48)35(47)19-18-30-13-7-8-20-42-30/h2,5-8,11-13,20,24-26,28-29,32-36,47-48H,1,3-4,9-10,14-19,21-23,40H2,(H,41,43)(H,44,51)(H,45,49)(H,46,50)/t28-,29+,32-,33-,34-,35-,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM269143 (US9718825, Example 589) Show SMILES CC(C)N1CC(COc2nc(cc3[nH]nc(C)c23)-c2ccc(NS(=O)(=O)c3cc(C)ccc3F)cc2)C1 Show InChI InChI=1S/C27H30FN5O3S/c1-16(2)33-13-19(14-33)15-36-27-26-18(4)30-31-24(26)12-23(29-27)20-6-8-21(9-7-20)32-37(34,35)25-11-17(3)5-10-22(25)28/h5-12,16,19,32H,13-15H2,1-4H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM269150 (US9718825, Example 596) Show SMILES CCOc1nc(cc2[nH]nc(N)c12)-c1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1 Show InChI InChI=1S/C21H20FN5O3S/c1-3-30-21-19-17(25-26-20(19)23)11-16(24-21)13-5-7-14(8-6-13)27-31(28,29)18-10-12(2)4-9-15(18)22/h4-11,27H,3H2,1-2H3,(H3,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045681 (4-Amino-cyclohexanecarboxylic acid {1-[1-(1-cycloh...) Show SMILES N[C@H]1CC[C@H](CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 |wU:31.33,10.10,4.7,1.0,41.45,wD:21.22,39.43,(-.88,-15.35,;.47,-14.59,;.5,-13.05,;1.83,-12.3,;3.16,-13.09,;3.13,-14.63,;1.8,-15.38,;4.49,-12.33,;4.51,-10.79,;5.82,-13.11,;7.17,-12.34,;7.17,-10.8,;6.4,-9.47,;4.84,-9.47,;4.07,-8.14,;4.84,-6.79,;6.38,-6.77,;7.17,-8.12,;8.5,-13.12,;8.48,-14.66,;9.83,-12.37,;11.16,-13.14,;11.14,-14.68,;12.47,-15.45,;13.89,-14.84,;14.92,-15.99,;14.12,-17.32,;12.63,-16.99,;12.49,-12.37,;12.51,-10.83,;13.82,-13.14,;15.17,-12.39,;15.17,-10.85,;15.94,-9.52,;17.48,-9.52,;18.25,-8.17,;17.48,-6.86,;15.94,-6.84,;15.17,-8.17,;16.5,-13.16,;16.48,-14.7,;17.83,-12.41,;17.83,-10.87,;19.16,-13.18,;20.49,-12.42,;21.82,-13.21,;21.82,-14.75,;23.15,-15.52,;24.48,-14.77,;24.48,-13.21,;23.15,-12.44,)| Show InChI InChI=1S/C39H55N7O5/c40-29-16-14-28(15-17-29)37(49)45-33(22-27-11-5-2-6-12-27)38(50)46-34(23-31-24-41-25-43-31)39(51)44-32(21-26-9-3-1-4-10-26)36(48)35(47)19-18-30-13-7-8-20-42-30/h2,5-8,11-13,20,24-26,28-29,32-36,47-48H,1,3-4,9-10,14-19,21-23,40H2,(H,41,43)(H,44,51)(H,45,49)(H,46,50)/t28-,29+,32-,33-,34-,35-,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM269083 (US9718825, Example 527) Show SMILES COc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1ncc2c(N)n[nH]c2n1 Show InChI InChI=1S/C18H15FN6O3S/c1-28-12-6-7-14(19)15(8-12)29(26,27)25-11-4-2-10(3-5-11)17-21-9-13-16(20)23-24-18(13)22-17/h2-9,25H,1H3,(H3,20,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.510	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268829 (US9718825, Example 234) Show SMILES COc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(OCC2(CN)COC2)c2cn[nH]c2n1 Show InChI InChI=1S/C23H23FN6O5S/c1-33-16-6-7-18(24)19(8-16)36(31,32)30-15-4-2-14(3-5-15)20-27-21-17(9-26-29-21)22(28-20)35-13-23(10-25)11-34-12-23/h2-9,30H,10-13,25H2,1H3,(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.510	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045684 (3-(4-Amino-piperidine-1-sulfonyl)-2-benzyl-N-[1-(1...) Show SMILES NC1CCN(CC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C38H55N7O6S/c39-30-16-19-45(20-17-30)52(50,51)25-29(21-27-9-3-1-4-10-27)37(48)44-34(23-32-24-40-26-42-32)38(49)43-33(22-28-11-5-2-6-12-28)36(47)35(46)15-14-31-13-7-8-18-41-31/h1,3-4,7-10,13,18,24,26,28-30,33-36,46-47H,2,5-6,11-12,14-17,19-23,25,39H2,(H,40,42)(H,43,49)(H,44,48)/t29-,33+,34+,35+,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM269008 (US9718825, Example 451) Show SMILES CCOc1nc(nc2[nH]nc(N)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)c(F)cc2F)cc1 Show InChI InChI=1S/C19H15ClF2N6O3S/c1-2-31-19-15-16(23)26-27-18(15)24-17(25-19)9-3-5-10(6-4-9)28-32(29,30)14-7-11(20)12(21)8-13(14)22/h3-8,28H,2H2,1H3,(H3,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268860 (US9718825, Example 265) Show SMILES CN1CCC(CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 Show InChI InChI=1S/C23H22ClFN6O3S/c1-31-10-8-17(9-11-31)34-23-18-13-26-29-22(18)27-21(28-23)14-2-5-16(6-3-14)30-35(32,33)20-12-15(24)4-7-19(20)25/h2-7,12-13,17,30H,8-11H2,1H3,(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045682 (2-[4-(4-Amino-piperidin-1-yl)-2-benzyl-4-oxo-butyr...) Show SMILES CCC[C@H](NC(=O)[C@@H](CC(=O)N1CCC(N)CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C38H57N5O5/c1-2-11-32(41-37(47)29(24-27-12-5-3-6-13-27)26-35(45)43-22-19-30(39)20-23-43)38(48)42-33(25-28-14-7-4-8-15-28)36(46)34(44)18-17-31-16-9-10-21-40-31/h3,5-6,9-10,12-13,16,21,28-30,32-34,36,44,46H,2,4,7-8,11,14-15,17-20,22-26,39H2,1H3,(H,41,47)(H,42,48)/t29-,32+,33+,34+,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045688 (5-{1-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-pyridi...) Show SMILES CCOC(=O)CCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C40H56N6O7/c1-2-53-37(49)19-10-9-18-36(48)44-33(24-29-15-7-4-8-16-29)39(51)46-34(25-31-26-41-27-43-31)40(52)45-32(23-28-13-5-3-6-14-28)38(50)35(47)21-20-30-17-11-12-22-42-30/h4,7-8,11-12,15-17,22,26-28,32-35,38,47,50H,2-3,5-6,9-10,13-14,18-21,23-25H2,1H3,(H,41,43)(H,44,48)(H,45,52)(H,46,51)/t32-,33-,34-,35-,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045684 (3-(4-Amino-piperidine-1-sulfonyl)-2-benzyl-N-[1-(1...) Show SMILES NC1CCN(CC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C38H55N7O6S/c39-30-16-19-45(20-17-30)52(50,51)25-29(21-27-9-3-1-4-10-27)37(48)44-34(23-32-24-40-26-42-32)38(49)43-33(22-28-11-5-2-6-12-28)36(47)35(46)15-14-31-13-7-8-18-41-31/h1,3-4,7-10,13,18,24,26,28-30,33-36,46-47H,2,5-6,11-12,14-17,19-23,25,39H2,(H,40,42)(H,43,49)(H,44,48)/t29-,33+,34+,35+,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045688 (5-{1-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-pyridi...) Show SMILES CCOC(=O)CCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C40H56N6O7/c1-2-53-37(49)19-10-9-18-36(48)44-33(24-29-15-7-4-8-16-29)39(51)46-34(25-31-26-41-27-43-31)40(52)45-32(23-28-13-5-3-6-14-28)38(50)35(47)21-20-30-17-11-12-22-42-30/h4,7-8,11-12,15-17,22,26-28,32-35,38,47,50H,2-3,5-6,9-10,13-14,18-21,23-25H2,1H3,(H,41,43)(H,44,48)(H,45,52)(H,46,51)/t32-,33-,34-,35-,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Selectivity against rhesus monkey plasma renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268850 (US9718825, Example 255 | US9718825, Example 261) Show SMILES Cc1n[nH]c2nc(nc(OC3CCNCC3(F)F)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.760	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045686 (4-(4-Amino-piperidin-1-yl)-N-[1-(1-cyclohexylmethy...) Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C43H57N7O5/c44-33-18-21-50(22-19-33)40(52)25-32(24-31-13-8-12-30-11-4-5-15-36(30)31)42(54)49-38(26-35-27-45-28-47-35)43(55)48-37(23-29-9-2-1-3-10-29)41(53)39(51)17-16-34-14-6-7-20-46-34/h4-8,11-15,20,27-29,32-33,37-39,41,51,53H,1-3,9-10,16-19,21-26,44H2,(H,45,47)(H,48,55)(H,49,54)/t32-,37+,38+,39+,41-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268828 (US9718825, Example 233) Show SMILES COc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(OCC2(CN)COC2)c2cn[nH]c2n1 Show InChI InChI=1S/C23H23ClN6O5S/c1-33-16-6-7-18(24)19(8-16)36(31,32)30-15-4-2-14(3-5-15)20-27-21-17(9-26-29-21)22(28-20)35-13-23(10-25)11-34-12-23/h2-9,30H,10-13,25H2,1H3,(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.850	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM269092 (US9718825, Example 537) Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1ncc2c(NC(=O)C3CC3)n[nH]c2n1 Show InChI InChI=1S/C21H16Cl2N6O3S/c22-13-5-8-16(23)17(9-13)33(31,32)29-14-6-3-11(4-7-14)18-24-10-15-19(25-18)27-28-20(15)26-21(30)12-1-2-12/h3-10,12,29H,1-2H2,(H2,24,25,26,27,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045690 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) Show SMILES O[C@@H](CCc1ccccn1)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C38H52N6O6/c45-34(15-14-30-13-7-8-16-40-30)36(47)32(22-28-11-5-2-6-12-28)42-38(49)33(24-31-25-39-26-41-31)43-37(48)29(21-27-9-3-1-4-10-27)23-35(46)44-17-19-50-20-18-44/h1,3-4,7-10,13,16,25-26,28-29,32-34,36,45,47H,2,5-6,11-12,14-15,17-24H2,(H,39,41)(H,42,49)(H,43,48)/t29-,32+,33+,34+,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268847 (US9718825, Example 252) Show SMILES Cc1n[nH]c2nc(nc(OC3CCNCC3(F)F)c12)-c1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268698 (US9718825, Example 100) Show SMILES Cc1n[nH]c2nc(nc(NC3CCCC(O)C3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C#N)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045690 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) Show SMILES O[C@@H](CCc1ccccn1)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C38H52N6O6/c45-34(15-14-30-13-7-8-16-40-30)36(47)32(22-28-11-5-2-6-12-28)42-38(49)33(24-31-25-39-26-41-31)43-37(48)29(21-27-9-3-1-4-10-27)23-35(46)44-17-19-50-20-18-44/h1,3-4,7-10,13,16,25-26,28-29,32-34,36,45,47H,2,5-6,11-12,14-15,17-24H2,(H,39,41)(H,42,49)(H,43,48)/t29-,32+,33+,34+,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Selectivity against guinea pig plasma renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268875 (US9718825, Example 300) Show SMILES Cc1n[nH]c2nc(nc(OC3CCNCC3F)c12)-c1ccc(NS(=O)(=O)c2cc(C)ccc2C#N)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268644 (US9718825, Example 46) Show SMILES NCCCNc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 Show InChI InChI=1S/C20H19ClFN7O2S/c21-13-4-7-16(22)17(10-13)32(30,31)29-14-5-2-12(3-6-14)18-26-19(24-9-1-8-23)15-11-25-28-20(15)27-18/h2-7,10-11,29H,1,8-9,23H2,(H2,24,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.20	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268648 (US9718825, Example 50) Show SMILES NCCNc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 Show InChI InChI=1S/C19H17ClFN7O2S/c20-12-3-6-15(21)16(9-12)31(29,30)28-13-4-1-11(2-5-13)17-25-18(23-8-7-22)14-10-24-27-19(14)26-17/h1-6,9-10,28H,7-8,22H2,(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.20	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268649 (US9718825, Example 51) Show SMILES NCCNc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 Show InChI InChI=1S/C19H17Cl2N7O2S/c20-12-3-6-15(21)16(9-12)31(29,30)28-13-4-1-11(2-5-13)17-25-18(23-8-7-22)14-10-24-27-19(14)26-17/h1-6,9-10,28H,7-8,22H2,(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.20	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268650 (US9718825, Example 52) Show SMILES NCCCNc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 Show InChI InChI=1S/C20H19Cl2N7O2S/c21-13-4-7-16(22)17(10-13)32(30,31)29-14-5-2-12(3-6-14)18-26-19(24-9-1-8-23)15-11-25-28-20(15)27-18/h2-7,10-11,29H,1,8-9,23H2,(H2,24,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.20	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268659 (US9718825, Example 61) Show SMILES OC1CCC(CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 |(2.51,7.8,;3.28,6.46,;4.82,6.46,;5.59,5.13,;4.82,3.79,;3.28,3.79,;2.51,5.13,;5.59,2.46,;4.82,1.13,;3.28,1.13,;2.51,-.21,;3.28,-1.54,;4.82,-1.54,;5.85,-2.68,;7.25,-2.06,;7.09,-.53,;5.59,-.21,;.97,-.21,;.2,-1.54,;-1.34,-1.54,;-2.11,-.21,;-3.65,-.21,;-4.42,-1.54,;-5.19,-2.87,;-3.09,-2.31,;-5.76,-.77,;-5.76,.77,;-7.09,1.54,;-7.09,3.08,;-8.43,.77,;-8.43,-.77,;-7.09,-1.54,;-7.09,-3.08,;-1.34,1.13,;.2,1.13,)| Show InChI InChI=1S/C23H21Cl2N5O4S/c24-14-3-10-19(25)20(11-14)35(32,33)30-15-4-1-13(2-5-15)21-27-22-18(12-26-29-22)23(28-21)34-17-8-6-16(31)7-9-17/h1-5,10-12,16-17,30-31H,6-9H2,(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.20	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268660 (US9718825, Example 62) Show SMILES NCCCOc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 Show InChI InChI=1S/C20H18ClFN6O3S/c21-13-4-7-16(22)17(10-13)32(29,30)28-14-5-2-12(3-6-14)18-25-19-15(11-24-27-19)20(26-18)31-9-1-8-23/h2-7,10-11,28H,1,8-9,23H2,(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.20	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50043018 (CHEMBL3355028 | US9718825, Example 63) Show SMILES NCCCOc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 Show InChI InChI=1S/C20H18Cl2N6O3S/c21-13-4-7-16(22)17(10-13)32(29,30)28-14-5-2-12(3-6-14)18-25-19-15(11-24-27-19)20(26-18)31-9-1-8-23/h2-7,10-11,28H,1,8-9,23H2,(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.20	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM269021 (US9718825, Example 464) Show SMILES Cc1nc(nc2[nH]nc(N)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 Show InChI InChI=1S/C18H14Cl2N6O2S/c1-9-15-16(21)24-25-18(15)23-17(22-9)10-2-5-12(6-3-10)26-29(27,28)14-8-11(19)4-7-13(14)20/h2-8,26H,1H3,(H3,21,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.20	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268619 (US9718825, Example 15) Show SMILES Clc1cccc(c1Cl)S(=O)(=O)Nc1ccc(cc1)-c1nc(N2CCNCC2)c2cn[nH]c2n1 Show InChI InChI=1S/C21H19Cl2N7O2S/c22-16-2-1-3-17(18(16)23)33(31,32)29-14-6-4-13(5-7-14)19-26-20-15(12-25-28-20)21(27-19)30-10-8-24-9-11-30/h1-7,12,24,29H,8-11H2,(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.20	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268620 (US9718825, Example 16) Show SMILES Fc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)-c1nc(N2CCNCC2)c2cn[nH]c2n1 Show InChI InChI=1S/C21H19ClFN7O2S/c22-14-3-6-17(23)18(11-14)33(31,32)29-15-4-1-13(2-5-15)19-26-20-16(12-25-28-20)21(27-19)30-9-7-24-8-10-30/h1-6,11-12,24,29H,7-10H2,(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.20	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268621 (US9718825, Example 17) Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(N2CCNCC2)c2cn[nH]c2n1 Show InChI InChI=1S/C21H19Cl2N7O2S/c22-14-3-6-17(23)18(11-14)33(31,32)29-15-4-1-13(2-5-15)19-26-20-16(12-25-28-20)21(27-19)30-9-7-24-8-10-30/h1-6,11-12,24,29H,7-10H2,(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.20	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268626 (US9718825, Example 23) Show SMILES Fc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)-c1nc(Oc2ccncc2)c2cn[nH]c2n1 Show InChI InChI=1S/C22H14ClFN6O3S/c23-14-3-6-18(24)19(11-14)34(31,32)30-15-4-1-13(2-5-15)20-27-21-17(12-26-29-21)22(28-20)33-16-7-9-25-10-8-16/h1-12,30H,(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.20	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268627 (US9718825, Example 24) Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(Oc2ccncc2)c2cn[nH]c2n1 Show InChI InChI=1S/C22H14Cl2N6O3S/c23-14-3-6-18(24)19(11-14)34(31,32)30-15-4-1-13(2-5-15)20-27-21-17(12-26-29-21)22(28-20)33-16-7-9-25-10-8-16/h1-12,30H,(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.20	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM268628 (US9718825, Example 25) Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(-c2ccncc2)c2cn[nH]c2n1 Show InChI InChI=1S/C22H14Cl2N6O2S/c23-15-3-6-18(24)19(11-15)33(31,32)30-16-4-1-14(2-5-16)21-27-20(13-7-9-25-10-8-13)17-12-26-29-22(17)28-21/h1-12,30H,(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.20	n/a	n/a	n/a	n/a	7.4	n/a
SANOFI US Patent					Assay Description The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...				US Patent US9718825 (2017) BindingDB Entry DOI: 10.7270/Q2VM4F82
					More data for this Ligand-Target Pair

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