Compile Data Set for Download or QSAR

Found 289 hits with Last Name = 'major' and Initial = 's'   

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))	BDBM50010904 (6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...) Show SMILES CCCCNC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)C(Cc1cccnc1)c1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C Show InChI InChI=1S/C40H56N8O3/c1-5-7-20-43-39(50)31(27(3)4)23-36(49)34(22-28-14-9-8-10-15-28)45-40(51)32(21-29-16-11-18-41-24-29)37-46-47-38-33(13-6-2)44-35(26-48(37)38)30-17-12-19-42-25-30/h11-12,16-19,24-28,31-32,34,36,49H,5-10,13-15,20-23H2,1-4H3,(H,43,50)(H,45,51)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012938 (6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...) Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCCCO)-c1cccnc1 Show InChI InChI=1S/C40H56N8O4/c1-4-12-33-38-47-46-37(48(38)26-35(44-33)30-16-11-18-42-25-30)32(21-29-15-10-17-41-24-29)40(52)45-34(22-28-13-6-5-7-14-28)36(50)23-31(27(2)3)39(51)43-19-8-9-20-49/h10-11,15-18,24-28,31-32,34,36,49-50H,4-9,12-14,19-23H2,1-3H3,(H,43,51)(H,45,52)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012937 (CHEMBL76697 | Less polar Epimer-6-Cyclohexyl-4-hyd...) Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN(C)C)-c1cccnc1 Show InChI InChI=1S/C40H57N9O3/c1-6-12-33-38-47-46-37(49(38)26-35(44-33)30-16-11-18-42-25-30)32(21-29-15-10-17-41-24-29)40(52)45-34(22-28-13-8-7-9-14-28)36(50)23-31(27(2)3)39(51)43-19-20-48(4)5/h10-11,15-18,24-28,31-32,34,36,50H,6-9,12-14,19-23H2,1-5H3,(H,43,51)(H,45,52)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012937 (CHEMBL76697 | Less polar Epimer-6-Cyclohexyl-4-hyd...) Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN(C)C)-c1cccnc1 Show InChI InChI=1S/C40H57N9O3/c1-6-12-33-38-47-46-37(49(38)26-35(44-33)30-16-11-18-42-25-30)32(21-29-15-10-17-41-24-29)40(52)45-34(22-28-13-8-7-9-14-28)36(50)23-31(27(2)3)39(51)43-19-20-48(4)5/h10-11,15-18,24-28,31-32,34,36,50H,6-9,12-14,19-23H2,1-5H3,(H,43,51)(H,45,52)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091288 (CHEMBL3582227) Show SMILES Cn1cc(cn1)-c1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C26H26N6/c1-31-17-21(14-29-31)24-12-22-23-11-20(13-28-26(23)30-25(22)15-27-24)19-7-5-18(6-8-19)16-32-9-3-2-4-10-32/h5-8,11-15,17H,2-4,9-10,16H2,1H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012946 (6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...) Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN1CCOCC1)-c1cccnc1 Show InChI InChI=1S/C42H59N9O4/c1-4-10-35-40-49-48-39(51(40)28-37(46-35)32-14-9-16-44-27-32)34(23-31-13-8-15-43-26-31)42(54)47-36(24-30-11-6-5-7-12-30)38(52)25-33(29(2)3)41(53)45-17-18-50-19-21-55-22-20-50/h8-9,13-16,26-30,33-34,36,38,52H,4-7,10-12,17-25H2,1-3H3,(H,45,53)(H,47,54)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091302 (CHEMBL3582223) Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cnco1 Show InChI InChI=1S/C25H23N5O/c1-2-8-30(9-3-1)15-17-4-6-18(7-5-17)19-10-21-20-11-22(24-14-26-16-31-24)27-13-23(20)29-25(21)28-12-19/h4-7,10-14,16H,1-3,8-9,15H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012944 (6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...) Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN1CCNCC1)-c1cccnc1 Show InChI InChI=1S/C42H60N10O3/c1-4-10-35-40-50-49-39(52(40)28-37(47-35)32-14-9-16-45-27-32)34(23-31-13-8-15-44-26-31)42(55)48-36(24-30-11-6-5-7-12-30)38(53)25-33(29(2)3)41(54)46-19-22-51-20-17-43-18-21-51/h8-9,13-16,26-30,33-34,36,38,43,53H,4-7,10-12,17-25H2,1-3H3,(H,46,54)(H,48,55)	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012939 (6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...) Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCc1ccccn1)-c1cccnc1 Show InChI InChI=1S/C42H53N9O3/c1-4-12-35-40-50-49-39(51(40)27-37(47-35)31-16-11-19-44-25-31)34(21-30-15-10-18-43-24-30)42(54)48-36(22-29-13-6-5-7-14-29)38(52)23-33(28(2)3)41(53)46-26-32-17-8-9-20-45-32/h8-11,15-20,24-25,27-29,33-34,36,38,52H,4-7,12-14,21-23,26H2,1-3H3,(H,46,53)(H,48,54)	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091309 (CHEMBL3582216) Show SMILES CCN1CCc2sc(cc2C1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C17H23NO3/c1-10-4-6-11(7-5-10)13-8-12-9-14(19)16(18(12)2)15(13)17(20)21-3/h4-7,12-16,19H,8-9H2,1-3H3/t12-,13?,14?,15?,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091287 (CHEMBL3582228) Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cccnc1 Show InChI InChI=1S/C27H25N5/c1-2-11-32(12-3-1)18-19-6-8-20(9-7-19)22-13-24-23-14-25(21-5-4-10-28-15-21)29-17-26(23)31-27(24)30-16-22/h4-10,13-17H,1-3,11-12,18H2,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091300 (CHEMBL3582225) Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1nnco1 Show InChI InChI=1S/C24H22N6O/c1-2-8-30(9-3-1)14-16-4-6-17(7-5-16)18-10-20-19-11-21(24-29-27-15-31-24)25-13-22(19)28-23(20)26-12-18/h4-7,10-13,15H,1-3,8-9,14H2,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091293 (CHEMBL3582201) Show SMILES N#Cc1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C23H21N5/c24-12-19-11-20-21-10-18(13-26-23(21)27-22(20)14-25-19)17-6-4-16(5-7-17)15-28-8-2-1-3-9-28/h4-7,10-11,13-14H,1-3,8-9,15H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50012922 (4-Methyl-2-[(pyridin-2-ylmethyl)-amino]-pentanoic ...) Show SMILES CC(C)CC(NCc1ccccn1)C(=O)NC(CC1CCCCC1)C(O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C46H59N9O4/c1-30(2)22-38-44-54-53-43(55(44)29-40(50-38)34-17-9-6-10-18-34)36(24-33-16-13-20-47-27-33)45(58)52-42(57)26-41(56)37(25-32-14-7-5-8-15-32)51-46(59)39(23-31(3)4)49-28-35-19-11-12-21-48-35/h6,9-13,16-21,27,29-32,36-37,39,41,49,56H,5,7-8,14-15,22-26,28H2,1-4H3,(H,51,59)(H,52,57,58)	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	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012922 (4-Methyl-2-[(pyridin-2-ylmethyl)-amino]-pentanoic ...) Show SMILES CC(C)CC(NCc1ccccn1)C(=O)NC(CC1CCCCC1)C(O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C46H59N9O4/c1-30(2)22-38-44-54-53-43(55(44)29-40(50-38)34-17-9-6-10-18-34)36(24-33-16-13-20-47-27-33)45(58)52-42(57)26-41(56)37(25-32-14-7-5-8-15-32)51-46(59)39(23-31(3)4)49-28-35-19-11-12-21-48-35/h6,9-13,16-21,27,29-32,36-37,39,41,49,56H,5,7-8,14-15,22-26,28H2,1-4H3,(H,51,59)(H,52,57,58)	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	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091289 (CHEMBL3582226) Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cnoc1 Show InChI InChI=1S/C25H23N5O/c1-2-8-30(9-3-1)15-17-4-6-18(7-5-17)19-10-22-21-11-23(20-13-28-31-16-20)26-14-24(21)29-25(22)27-12-19/h4-7,10-14,16H,1-3,8-9,15H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50035709 (CHEMBL3359895) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C22H20N6/c1-27-6-8-28(9-7-27)18-4-2-15(3-5-18)16-10-20-19-11-17(12-23)24-14-21(19)26-22(20)25-13-16/h2-5,10-11,13-14H,6-9H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091301 (CHEMBL3582224) Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cncs1 Show InChI InChI=1S/C25H23N5S/c1-2-8-30(9-3-1)15-17-4-6-18(7-5-17)19-10-21-20-11-22(24-14-26-16-31-24)27-13-23(20)29-25(21)28-12-19/h4-7,10-14,16H,1-3,8-9,15H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012928 (2-(3-Aminomethyl-benzylamino)-4-methyl-pentanoic a...) Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(CC(C)C)NCc1cccc(CN)c1)-c1cccnc1 Show InChI InChI=1S/C46H60N10O4/c1-4-11-37-44-55-54-43(56(44)29-40(51-37)35-17-10-19-49-28-35)36(22-34-16-9-18-48-26-34)45(59)53-42(58)24-41(57)38(23-31-12-6-5-7-13-31)52-46(60)39(20-30(2)3)50-27-33-15-8-14-32(21-33)25-47/h8-10,14-19,21,26,28-31,36,38-39,41,50,57H,4-7,11-13,20,22-25,27,47H2,1-3H3,(H,52,60)(H,53,58,59)/t36?,38-,39?,41-/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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012923 (2-(3-Aminomethyl-benzylamino)-4-methyl-pentanoic a...) Show SMILES CC(C)CC(NCc1cccc(CN)c1)C(=O)NC(CC1CCCCC1)C(O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C48H63N9O4/c1-31(2)21-40-46-56-55-45(57(46)30-42(52-40)37-18-9-6-10-19-37)38(24-36-17-12-20-50-28-36)47(60)54-44(59)26-43(58)39(25-33-13-7-5-8-14-33)53-48(61)41(22-32(3)4)51-29-35-16-11-15-34(23-35)27-49/h6,9-12,15-20,23,28,30-33,38-39,41,43,51,58H,5,7-8,13-14,21-22,24-27,29,49H2,1-4H3,(H,53,61)(H,54,59,60)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012923 (2-(3-Aminomethyl-benzylamino)-4-methyl-pentanoic a...) Show SMILES CC(C)CC(NCc1cccc(CN)c1)C(=O)NC(CC1CCCCC1)C(O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C48H63N9O4/c1-31(2)21-40-46-56-55-45(57(46)30-42(52-40)37-18-9-6-10-19-37)38(24-36-17-12-20-50-28-36)47(60)54-44(59)26-43(58)39(25-33-13-7-5-8-14-33)53-48(61)41(22-32(3)4)51-29-35-16-11-15-34(23-35)27-49/h6,9-12,15-20,23,28,30-33,38-39,41,43,51,58H,5,7-8,13-14,21-22,24-27,29,49H2,1-4H3,(H,53,61)(H,54,59,60)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091320 (CHEMBL3582207) Show SMILES OC1CCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)CC1 Show InChI InChI=1S/C14H29O19P3/c1-2-3-27-14-12(33-36(24,25)26)9(6(4-15)29-14)30-13-8(17)11(32-35(21,22)23)10(7(5-16)28-13)31-34(18,19)20/h6-17H,2-5H2,1H3,(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)/t6-,7?,8+,9+,10+,11?,12+,13+,14?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091319 (CHEMBL3582208) Show SMILES O[C@@H]1CCCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)C1 |r| Show InChI InChI=1S/C12H25O19P3/c1-25-12-10(31-34(22,23)24)7(4(2-13)27-12)28-11-6(15)9(30-33(19,20)21)8(5(3-14)26-11)29-32(16,17)18/h4-15H,2-3H2,1H3,(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t4-,5?,6+,7+,8+,9?,10+,11+,12?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091294 (CHEMBL3582200) Show SMILES CN1CCN(CC1)c1cccc(c1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C22H20N6/c1-27-5-7-28(8-6-27)18-4-2-3-15(9-18)16-10-20-19-11-17(12-23)24-14-21(19)26-22(20)25-13-16/h2-4,9-11,13-14H,5-8H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012932 (4-(1-{1-Cyclohexylmethyl-2-hydroxy-4-[2-(8-isobuty...) Show SMILES CC(C)CC(NCCCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C44H60N8O6/c1-28(2)21-35-42-51-50-41(52(42)27-37(47-35)32-16-9-6-10-17-32)33(23-31-15-11-19-45-26-31)43(57)49-39(54)25-38(53)34(24-30-13-7-5-8-14-30)48-44(58)36(22-29(3)4)46-20-12-18-40(55)56/h6,9-11,15-17,19,26-30,33-34,36,38,46,53H,5,7-8,12-14,18,20-25H2,1-4H3,(H,48,58)(H,55,56)(H,49,54,57)/t33?,34-,36?,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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091292 (CHEMBL3582202) Show SMILES C[C@H]1CCC[C@@H](C)N1Cc1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091311 (CHEMBL3582215) Show SMILES CCN1CCc2cc(ccc2C1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C17H23NO3/c1-10-4-6-11(7-5-10)12-8-13-15(19)9-14(18(13)2)16(12)17(20)21-3/h4-7,12-16,19H,8-9H2,1-3H3/t12?,13-,14?,15+,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091285 (CHEMBL3582230) Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cnccn1 Show InChI InChI=1S/C26H24N6/c1-2-10-32(11-3-1)17-18-4-6-19(7-5-18)20-12-22-21-13-23(25-15-27-8-9-28-25)29-16-24(21)31-26(22)30-14-20/h4-9,12-16H,1-3,10-11,17H2,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091315 (CHEMBL3582212) Show SMILES N#Cc1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCC3(COC3)CC2)cc1 Show InChI InChI=1S/C17H23NO3/c1-10-4-6-11(7-5-10)12-8-13-15(19)9-14(18(13)2)16(12)17(20)21-3/h4-7,12-16,19H,8-9H2,1-3H3/t12?,13-,14?,15-,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012943 (6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...) Show SMILES CCCCNC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C Show InChI InChI=1S/C34H51N7O3/c1-5-7-17-36-34(44)26(23(3)4)19-30(42)28(18-24-13-9-8-10-14-24)38-32(43)20-31-39-40-33-27(12-6-2)37-29(22-41(31)33)25-15-11-16-35-21-25/h11,15-16,21-24,26,28,30,42H,5-10,12-14,17-20H2,1-4H3,(H,36,44)(H,38,43)	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091284 (CHEMBL3582231) Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1ccnnc1 Show InChI InChI=1S/C26H24N6/c1-2-10-32(11-3-1)17-18-4-6-19(7-5-18)21-12-23-22-13-24(20-8-9-29-30-15-20)27-16-25(22)31-26(23)28-14-21/h4-9,12-16H,1-3,10-11,17H2,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012925 (2-Amino-6-(1-{1-cyclohexylmethyl-2-hydroxy-4-[2-(8...) Show SMILES CC(C)CC(NCCCC[C@H](N)C(O)=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C46H65N9O6/c1-29(2)22-37-43-54-53-42(55(43)28-39(50-37)33-17-9-6-10-18-33)34(24-32-16-13-20-48-27-32)44(58)52-41(57)26-40(56)36(25-31-14-7-5-8-15-31)51-45(59)38(23-30(3)4)49-21-12-11-19-35(47)46(60)61/h6,9-10,13,16-18,20,27-31,34-36,38,40,49,56H,5,7-8,11-12,14-15,19,21-26,47H2,1-4H3,(H,51,59)(H,60,61)(H,52,57,58)/t34?,35-,36-,38?,40-/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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50047133 (CHEMBL434768 | {6-Ethyl-2-methyl-4-[2'-(1H-tetrazo...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(C(=O)c2ccccc2)c(C)n1 Show InChI InChI=1S/C29H25N5O2/c1-3-23-17-26(27(19(2)30-23)28(35)22-9-5-4-6-10-22)36-18-20-13-15-21(16-14-20)24-11-7-8-12-25(24)29-31-33-34-32-29/h4-17H,3,18H2,1-2H3,(H,31,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1				J Med Chem 36: 1245-54 (1993) BindingDB Entry DOI: 10.7270/Q2GM86CM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091291 (CHEMBL3582203) Show SMILES C[C@H]1C[C@@H](C)CN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)C1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091307 (CHEMBL3582218) Show SMILES NC(=O)c1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C23H23N5O/c24-22(29)20-11-18-19-10-17(12-26-23(19)27-21(18)13-25-20)16-6-4-15(5-7-16)14-28-8-2-1-3-9-28/h4-7,10-13H,1-3,8-9,14H2,(H2,24,29)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091322 (CHEMBL3582205) Show SMILES CC1(C)CCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)CC1 Show InChI InChI=1S/C20H33O19P3/c21-9-12-15(18(39-42(30,31)32)20(35-12)33-8-4-7-11-5-2-1-3-6-11)36-19-14(23)17(38-41(27,28)29)16(13(10-22)34-19)37-40(24,25)26/h1-3,5-6,12-23H,4,7-10H2,(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)/t12-,13?,14+,15+,16+,17?,18+,19+,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091318 (CHEMBL3582209) Show SMILES FC1CCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)CC1 Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1?,2?,3-,4-,5+,6?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50047117 (2,6-Diethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(C(=O)OC)c(CC)n1 Show InChI InChI=1S/C25H25N5O3/c1-4-18-14-22(23(25(31)32-3)21(5-2)26-18)33-15-16-10-12-17(13-11-16)19-8-6-7-9-20(19)24-27-29-30-28-24/h6-14H,4-5,15H2,1-3H3,(H,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1				J Med Chem 36: 1245-54 (1993) BindingDB Entry DOI: 10.7270/Q2GM86CM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50047111 (6-Ethyl-2-methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(C(=O)OC)c(C)n1 Show InChI InChI=1S/C24H23N5O3/c1-4-18-13-21(22(15(2)25-18)24(30)31-3)32-14-16-9-11-17(12-10-16)19-7-5-6-8-20(19)23-26-28-29-27-23/h5-13H,4,14H2,1-3H3,(H,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1				J Med Chem 36: 1245-54 (1993) BindingDB Entry DOI: 10.7270/Q2GM86CM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091283 (CHEMBL3582232) Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cncnc1 Show InChI InChI=1S/C26H24N6/c1-2-8-32(9-3-1)16-18-4-6-19(7-5-18)20-10-23-22-11-24(21-12-27-17-28-13-21)29-15-25(22)31-26(23)30-14-20/h4-7,10-15,17H,1-3,8-9,16H2,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091314 (CHEMBL3582213) Show SMILES N#Cc1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCCCC2)nc1 Show InChI InChI=1S/C17H23NO3/c1-10-4-6-11(7-5-10)12-8-13-15(19)9-14(18(13)2)16(12)17(20)21-3/h4-7,12-16,19H,8-9H2,1-3H3/t12-,13+,14?,15+,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50047113 (2,6-Dimethyl-3-phenyl-4-[2'-(1H-tetrazol-5-yl)-bip...) Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(c(C)n1)-c1ccccc1 Show InChI InChI=1S/C27H23N5O/c1-18-16-25(26(19(2)28-18)22-8-4-3-5-9-22)33-17-20-12-14-21(15-13-20)23-10-6-7-11-24(23)27-29-31-32-30-27/h3-16H,17H2,1-2H3,(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1				J Med Chem 36: 1245-54 (1993) BindingDB Entry DOI: 10.7270/Q2GM86CM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50047130 (CHEMBL280189 | {2,6-Dimethyl-4-[2'-(1H-tetrazol-5-...) Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(C(=O)c2ccccc2)c(C)n1 Show InChI InChI=1S/C28H23N5O2/c1-18-16-25(26(19(2)29-18)27(34)22-8-4-3-5-9-22)35-17-20-12-14-21(15-13-20)23-10-6-7-11-24(23)28-30-32-33-31-28/h3-16H,17H2,1-2H3,(H,30,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1				J Med Chem 36: 1245-54 (1993) BindingDB Entry DOI: 10.7270/Q2GM86CM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50047129 (2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2CCCc2n1 Show InChI InChI=1S/C24H23N5O/c1-2-18-14-23(21-8-5-9-22(21)25-18)30-15-16-10-12-17(13-11-16)19-6-3-4-7-20(19)24-26-28-29-27-24/h3-4,6-7,10-14H,2,5,8-9,15H2,1H3,(H,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1				J Med Chem 36: 1245-54 (1993) BindingDB Entry DOI: 10.7270/Q2GM86CM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50047122 (1-{6-Ethyl-2-methyl-4-[2'-(1H-tetrazol-5-yl)-biphe...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(C(C)=O)c(C)n1 Show InChI InChI=1S/C24H23N5O2/c1-4-19-13-22(23(16(3)30)15(2)25-19)31-14-17-9-11-18(12-10-17)20-7-5-6-8-21(20)24-26-28-29-27-24/h5-13H,4,14H2,1-3H3,(H,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1				J Med Chem 36: 1245-54 (1993) BindingDB Entry DOI: 10.7270/Q2GM86CM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50047112 (2-Methyl-6-propyl-4-[2'-(1H-tetrazol-5-yl)-bipheny...) Show SMILES CCCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(C(=O)OC)c(C)n1 Show InChI InChI=1S/C25H25N5O3/c1-4-7-19-14-22(23(16(2)26-19)25(31)32-3)33-15-17-10-12-18(13-11-17)20-8-5-6-9-21(20)24-27-29-30-28-24/h5-6,8-14H,4,7,15H2,1-3H3,(H,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1				J Med Chem 36: 1245-54 (1993) BindingDB Entry DOI: 10.7270/Q2GM86CM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091286 (CHEMBL3582229) Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1ccncc1 Show InChI InChI=1S/C27H25N5/c1-2-12-32(13-3-1)18-19-4-6-20(7-5-19)22-14-24-23-15-25(21-8-10-28-11-9-21)29-17-26(23)31-27(24)30-16-22/h4-11,14-17H,1-3,12-13,18H2,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091290 (CHEMBL3582204) Show SMILES CC1(C)CCCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)C1 Show InChI InChI=1S/C25H25N5/c1-25(2)8-3-9-30(16-25)15-17-4-6-18(7-5-17)19-10-22-21-11-20(12-26)27-14-23(21)29-24(22)28-13-19/h4-7,10-11,13-14H,3,8-9,15-16H2,1-2H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091321 (CHEMBL3582206) Show SMILES CC(C)(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C34H60O38P6/c35-11-17-23(65-31-21(39)27(69-75(47,48)49)25(19(13-37)61-31)67-73(41,42)43)29(71-77(53,54)55)33(63-17)59-9-1-3-15-5-7-16(8-6-15)4-2-10-60-34-30(72-78(56,57)58)24(18(12-36)64-34)66-32-22(40)28(70-76(50,51)52)26(20(14-38)62-32)68-74(44,45)46/h5-8,17-40H,1-4,9-14H2,(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/t17-,18-,19?,20?,21+,22+,23+,24+,25+,26+,27?,28?,29+,30+,31+,32+,33?,34?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50091322 (CHEMBL3582205) Show SMILES CC1(C)CCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)CC1 Show InChI InChI=1S/C20H33O19P3/c21-9-12-15(18(39-42(30,31)32)20(35-12)33-8-4-7-11-5-2-1-3-6-11)36-19-14(23)17(38-41(27,28)29)16(13(10-22)34-19)37-40(24,25)26/h1-3,5-6,12-23H,4,7-10H2,(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)/t12-,13?,14+,15+,16+,17?,18+,19+,20?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human acetylcholine esterase by horseradish peroxidase-coupled fluorescence assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair

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