Compile Data Set for Download or QSAR

Found 140 hits with Last Name = 'vice' and Initial = 'g'   

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
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282823 (2-Butyl-6-(1-hydroxy-1-methyl-2-pyrrolidin-2-yl-et...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)(O)C[C@H]1CCCN1 Show InChI InChI=1S/C33H37N7O2/c1-3-4-11-30-35-29-17-16-24(33(2,42)20-25-8-7-18-34-25)19-28(29)32(41)40(30)21-22-12-14-23(15-13-22)26-9-5-6-10-27(26)31-36-38-39-37-31/h5-6,9-10,12-17,19,25,34,42H,3-4,7-8,11,18,20-21H2,1-2H3,(H,36,37,38,39)/t25-,33?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for in vitro for AII receptor antagonistic activity in bovine adrenal cortex.				Bioorg Med Chem Lett 4: 1709-1714 (1994) Article DOI: 10.1016/S0960-894X(00)80366-2 BindingDB Entry DOI: 10.7270/Q2F18ZN4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395536 (CHEMBL2164412) Show SMILES O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C21H23N3O4S2/c25-29(26)11-8-16(9-12-29)24-30(27,28)17-5-3-14(4-6-17)18-7-10-22-21-19(18)13-20(23-21)15-1-2-15/h3-7,10,13,15-16,24H,1-2,8-9,11-12H2,(H,22,23)	PDB 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	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50212952 (CHEMBL46150) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C1OCC=C1 |c:41| Show InChI InChI=1S/C30H28N6O2/c1-2-3-10-28-31-26-16-15-22(27-9-6-17-38-27)18-25(26)30(37)36(28)19-20-11-13-21(14-12-20)23-7-4-5-8-24(23)29-32-34-35-33-29/h4-9,11-16,18,27H,2-3,10,17,19H2,1H3,(H,32,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro Angiotensin II receptor antagonist activity in rat adrenal cortex tissue.				Bioorg Med Chem Lett 4: 1703-1708 (1994) Article DOI: 10.1016/S0960-894X(00)80365-0 BindingDB Entry DOI: 10.7270/Q2JS9QB3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395538 (CHEMBL2164410) Show SMILES CCc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C20H23N3O4S2/c1-2-15-13-19-18(7-10-21-20(19)22-15)14-3-5-17(6-4-14)29(26,27)23-16-8-11-28(24,25)12-9-16/h3-7,10,13,16,23H,2,8-9,11-12H2,1H3,(H,21,22)	PDB 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	5.01	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50049207 (2-Butyl-6-(1-methoxy-1-methyl-ethyl)-3-[2'-(1H-tet...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)(C)OC Show InChI InChI=1S/C30H32N6O2/c1-5-6-11-27-31-26-17-16-22(30(2,3)38-4)18-25(26)29(37)36(27)19-20-12-14-21(15-13-20)23-9-7-8-10-24(23)28-32-34-35-33-28/h7-10,12-18H,5-6,11,19H2,1-4H3,(H,32,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro Angiotensin II receptor antagonist activity in rat adrenal cortex tissue.				Bioorg Med Chem Lett 4: 1703-1708 (1994) Article DOI: 10.1016/S0960-894X(00)80365-0 BindingDB Entry DOI: 10.7270/Q2JS9QB3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395524 (CHEMBL2164424) Show SMILES CC(C)(O)CNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C20H23N3O3S/c1-20(2,24)12-22-27(25,26)15-7-5-13(6-8-15)16-9-10-21-19-17(16)11-18(23-19)14-3-4-14/h5-11,14,22,24H,3-4,12H2,1-2H3,(H,21,23)	PDB 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	6.31	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50395538 (CHEMBL2164410) Show SMILES CCc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C20H23N3O4S2/c1-2-15-13-19-18(7-10-21-20(19)22-15)14-3-5-17(6-4-14)29(26,27)23-16-8-11-28(24,25)12-9-16/h3-7,10,13,16,23H,2,8-9,11-12H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK1 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50395537 (CHEMBL2164411) Show SMILES CC(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C21H25N3O4S2/c1-14(2)20-13-19-18(7-10-22-21(19)23-20)15-3-5-17(6-4-15)30(27,28)24-16-8-11-29(25,26)12-9-16/h3-7,10,13-14,16,24H,8-9,11-12H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.31	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK1 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50395536 (CHEMBL2164412) Show SMILES O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C21H23N3O4S2/c25-29(26)11-8-16(9-12-29)24-30(27,28)17-5-3-14(4-6-17)18-7-10-22-21-19(18)13-20(23-21)15-1-2-15/h3-7,10,13,15-16,24H,1-2,8-9,11-12H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK1 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395537 (CHEMBL2164411) Show SMILES CC(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C21H25N3O4S2/c1-14(2)20-13-19-18(7-10-22-21(19)23-20)15-3-5-17(6-4-15)30(27,28)24-16-8-11-29(25,26)12-9-16/h3-7,10,13-14,16,24H,8-9,11-12H2,1-2H3,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.31	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395535 (CHEMBL2164413) Show SMILES CC(C)(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C22H27N3O4S2/c1-22(2,3)20-14-19-18(8-11-23-21(19)24-20)15-4-6-17(7-5-15)31(28,29)25-16-9-12-30(26,27)13-10-16/h4-8,11,14,16,25H,9-10,12-13H2,1-3H3,(H,23,24)	PDB 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	7.94	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395520 (CHEMBL2164422) Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21)	PDB 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	7.94	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50395531 (CHEMBL2164417) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(nc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C18H20N4O4S2/c1-12-10-16-15(4-7-19-18(16)21-12)13-2-3-17(20-11-13)28(25,26)22-14-5-8-27(23,24)9-6-14/h2-4,7,10-11,14,22H,5-6,8-9H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK1 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395526 (CHEMBL2164421) Show SMILES CC(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C18H21N3O3S/c1-12(2)17-11-16-15(7-8-19-18(16)21-17)13-3-5-14(6-4-13)25(23,24)20-9-10-22/h3-8,11-12,20,22H,9-10H2,1-2H3,(H,19,21)	PDB 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	7.94	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395522 (CHEMBL2164426) Show SMILES C[C@@H](CO)NS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 |r| Show InChI InChI=1S/C19H21N3O3S/c1-12(11-23)22-26(24,25)15-6-4-13(5-7-15)16-8-9-20-19-17(16)10-18(21-19)14-2-3-14/h4-10,12,14,22-23H,2-3,11H2,1H3,(H,20,21)/t12-/m0/s1	PDB 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	7.94	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395523 (CHEMBL2164425) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCC(C)(C)O Show InChI InChI=1S/C18H21N3O3S/c1-12-10-16-15(8-9-19-17(16)21-12)13-4-6-14(7-5-13)25(23,24)20-11-18(2,3)22/h4-10,20,22H,11H2,1-3H3,(H,19,21)	PDB 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	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50212954 (CHEMBL295114) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C1CCCO1 Show InChI InChI=1S/C30H30N6O2/c1-2-3-10-28-31-26-16-15-22(27-9-6-17-38-27)18-25(26)30(37)36(28)19-20-11-13-21(14-12-20)23-7-4-5-8-24(23)29-32-34-35-33-29/h4-5,7-8,11-16,18,27H,2-3,6,9-10,17,19H2,1H3,(H,32,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro Angiotensin II receptor antagonist activity in rat adrenal cortex tissue.				Bioorg Med Chem Lett 4: 1703-1708 (1994) Article DOI: 10.1016/S0960-894X(00)80365-0 BindingDB Entry DOI: 10.7270/Q2JS9QB3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395531 (CHEMBL2164417) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(nc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C18H20N4O4S2/c1-12-10-16-15(4-7-19-18(16)21-12)13-2-3-17(20-11-13)28(25,26)22-14-5-8-27(23,24)9-6-14/h2-4,7,10-11,14,22H,5-6,8-9H2,1H3,(H,19,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50395539 (CHEMBL483165) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C19H21N3O4S2/c1-13-12-18-17(6-9-20-19(18)21-13)14-2-4-16(5-3-14)28(25,26)22-15-7-10-27(23,24)11-8-15/h2-6,9,12,15,22H,7-8,10-11H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK1 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395532 (CHEMBL2164416) Show SMILES O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]c(Cn3ccnn3)cc12 Show InChI InChI=1S/C21H22N6O4S2/c28-32(29)11-6-16(7-12-32)25-33(30,31)18-3-1-15(2-4-18)19-5-8-22-21-20(19)13-17(24-21)14-27-10-9-23-26-27/h1-5,8-10,13,16,25H,6-7,11-12,14H2,(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395533 (CHEMBL2164415) Show SMILES O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CCNCC1 Show InChI InChI=1S/C23H28N4O4S2/c28-32(29)13-8-18(9-14-32)27-33(30,31)19-3-1-16(2-4-19)20-7-12-25-23-21(20)15-22(26-23)17-5-10-24-11-6-17/h1-4,7,12,15,17-18,24,27H,5-6,8-11,13-14H2,(H,25,26)	PDB 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	15.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395527 (CHEMBL2164420) Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C(F)(F)F Show InChI InChI=1S/C16H14F3N3O3S/c17-16(18,19)14-9-13-12(5-6-20-15(13)22-14)10-1-3-11(4-2-10)26(24,25)21-7-8-23/h1-6,9,21,23H,7-8H2,(H,20,22)	PDB 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	15.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282897 (2-Butyl-6-(5R,8S)-7-oxa-1-aza-bicyclo[3.2.1]oct-8-...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H]1[C@@H]2CON1CCC2 Show InChI InChI=1S/C32H33N7O2/c1-2-3-10-29-33-28-16-15-23(30-24-7-6-17-39(30)41-20-24)18-27(28)32(40)38(29)19-21-11-13-22(14-12-21)25-8-4-5-9-26(25)31-34-36-37-35-31/h4-5,8-9,11-16,18,24,30H,2-3,6-7,10,17,19-20H2,1H3,(H,34,35,36,37)/t24-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity to angiotensin II receptor in bovine adrenal cortex				Bioorg Med Chem Lett 4: 1819-1824 (1994) Article DOI: 10.1016/S0960-894X(01)80377-2 BindingDB Entry DOI: 10.7270/Q21V5DXH
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50282821 (2-Butyl-6-((2S,3aR)-2-methyl-hexahydro-pyrrolo[1,2...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C1(C)CC2CCCN2O1 Show InChI InChI=1S/C33H34N7O2/c1-3-4-11-30-34-29-17-16-24(33(2)20-25-8-7-18-40(25)42-33)19-28(29)32(41)39(30)21-22-12-14-23(15-13-22)26-9-5-6-10-27(26)31-35-37-38-36-31/h5-6,9-10,12-17,19,25H,3-4,7-8,11,18,20-21H2,1-2H3/q-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity expressed as inhibitory concentration against angiotensin II receptor of rat adrenal cortex				Bioorg Med Chem Lett 4: 1709-1714 (1994) Article DOI: 10.1016/S0960-894X(00)80366-2 BindingDB Entry DOI: 10.7270/Q2F18ZN4
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50282821 (2-Butyl-6-((2S,3aR)-2-methyl-hexahydro-pyrrolo[1,2...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C1(C)CC2CCCN2O1 Show InChI InChI=1S/C33H34N7O2/c1-3-4-11-30-34-29-17-16-24(33(2)20-25-8-7-18-40(25)42-33)19-28(29)32(41)39(30)21-22-12-14-23(15-13-22)26-9-5-6-10-27(26)31-35-37-38-36-31/h5-6,9-10,12-17,19,25H,3-4,7-8,11,18,20-21H2,1-2H3/q-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound expressed as inhibitory concentration towards bovine adrenal cortex angiotensin II receptor was measured				Bioorg Med Chem Lett 4: 1709-1714 (1994) Article DOI: 10.1016/S0960-894X(00)80366-2 BindingDB Entry DOI: 10.7270/Q2F18ZN4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395534 (CHEMBL2164414) Show SMILES CN(C)Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C21H26N4O4S2/c1-25(2)14-17-13-20-19(7-10-22-21(20)23-17)15-3-5-18(6-4-15)31(28,29)24-16-8-11-30(26,27)12-9-16/h3-7,10,13,16,24H,8-9,11-12,14H2,1-2H3,(H,22,23)	PDB 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	19.9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395528 (CHEMBL483557) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C16H17N3O3S/c1-11-10-15-14(6-7-17-16(15)19-11)12-2-4-13(5-3-12)23(21,22)18-8-9-20/h2-7,10,18,20H,8-9H2,1H3,(H,17,19)	PDB 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	19.9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395521 (CHEMBL2164427) Show SMILES C[C@@H](CO)NS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C(F)(F)F |r| Show InChI InChI=1S/C17H16F3N3O3S/c1-10(9-24)23-27(25,26)12-4-2-11(3-5-12)13-6-7-21-16-14(13)8-15(22-16)17(18,19)20/h2-8,10,23-24H,9H2,1H3,(H,21,22)/t10-/m0/s1	PDB 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	19.9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395525 (CHEMBL2164423) Show SMILES CC(C)(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C19H23N3O3S/c1-19(2,3)17-12-16-15(8-9-20-18(16)22-17)13-4-6-14(7-5-13)26(24,25)21-10-11-23/h4-9,12,21,23H,10-11H2,1-3H3,(H,20,22)	PDB 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	19.9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395539 (CHEMBL483165) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C19H21N3O4S2/c1-13-12-18-17(6-9-20-19(18)21-13)14-2-4-16(5-3-14)28(25,26)22-15-7-10-27(23,24)11-8-15/h2-6,9,12,15,22H,7-8,10-11H2,1H3,(H,20,21)	PDB 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	19.9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282805 (2-Butyl-6-((2R,3aR)-2-methyl-hexahydro-isoxazolo[2...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@]1(C)C[C@H]2CCCCN2O1 Show InChI InChI=1S/C34H37N7O2/c1-3-4-12-31-35-30-18-17-25(34(2)21-26-9-7-8-19-41(26)43-34)20-29(30)33(42)40(31)22-23-13-15-24(16-14-23)27-10-5-6-11-28(27)32-36-38-39-37-32/h5-6,10-11,13-18,20,26H,3-4,7-9,12,19,21-22H2,1-2H3,(H,36,37,38,39)/t26-,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro Angiotensin II receptor antagonism in bovine adrenal cortex tissue.				Bioorg Med Chem Lett 4: 1703-1708 (1994) Article DOI: 10.1016/S0960-894X(00)80365-0 BindingDB Entry DOI: 10.7270/Q2JS9QB3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50395535 (CHEMBL2164413) Show SMILES CC(C)(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C22H27N3O4S2/c1-22(2,3)20-14-19-18(8-11-23-21(19)24-20)15-4-6-17(7-5-15)31(28,29)25-16-9-12-30(26,27)13-10-16/h4-8,11,14,16,25H,9-10,12-13H2,1-3H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK1 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50282821 (2-Butyl-6-((2S,3aR)-2-methyl-hexahydro-pyrrolo[1,2...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C1(C)CC2CCCN2O1 Show InChI InChI=1S/C33H34N7O2/c1-3-4-11-30-34-29-17-16-24(33(2)20-25-8-7-18-40(25)42-33)19-28(29)32(41)39(30)21-22-12-14-23(15-13-22)26-9-5-6-10-27(26)31-35-37-38-36-31/h5-6,9-10,12-17,19,25H,3-4,7-8,11,18,20-21H2,1-2H3/q-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity expressed as inhibitory concentration against angiotensin II receptor of rat adrenal cortex				Bioorg Med Chem Lett 4: 1709-1714 (1994) Article DOI: 10.1016/S0960-894X(00)80366-2 BindingDB Entry DOI: 10.7270/Q2F18ZN4
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282821 (2-Butyl-6-((2S,3aR)-2-methyl-hexahydro-pyrrolo[1,2...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C1(C)CC2CCCN2O1 Show InChI InChI=1S/C33H34N7O2/c1-3-4-11-30-34-29-17-16-24(33(2)20-25-8-7-18-40(25)42-33)19-28(29)32(41)39(30)21-22-12-14-23(15-13-22)26-9-5-6-10-27(26)31-35-37-38-36-31/h5-6,9-10,12-17,19,25H,3-4,7-8,11,18,20-21H2,1-2H3/q-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity to angiotensin II receptor in bovine adrenal cortex				Bioorg Med Chem Lett 4: 1819-1824 (1994) Article DOI: 10.1016/S0960-894X(01)80377-2 BindingDB Entry DOI: 10.7270/Q21V5DXH
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282792 (2-Butyl-6-((2S,3aR)-2-methyl-hexahydro-pyrrolo[1,2...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@]1(C)C[C@H]2CCCN2O1 Show InChI InChI=1S/C33H35N7O2/c1-3-4-11-30-34-29-17-16-24(33(2)20-25-8-7-18-40(25)42-33)19-28(29)32(41)39(30)21-22-12-14-23(15-13-22)26-9-5-6-10-27(26)31-35-37-38-36-31/h5-6,9-10,12-17,19,25H,3-4,7-8,11,18,20-21H2,1-2H3,(H,35,36,37,38)/t25-,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro Angiotensin II receptor antagonism in bovine adrenal cortex tissue.				Bioorg Med Chem Lett 4: 1703-1708 (1994) Article DOI: 10.1016/S0960-894X(00)80365-0 BindingDB Entry DOI: 10.7270/Q2JS9QB3
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50009718 (2-Ethyl-5,7-dimethyl-3-[2'-(1H-tetrazol-5-yl)-biph...) Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for in vitro for AII receptor antagonistic activity in bovine adrenal cortex.				Bioorg Med Chem Lett 4: 1709-1714 (1994) Article DOI: 10.1016/S0960-894X(00)80366-2 BindingDB Entry DOI: 10.7270/Q2F18ZN4
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282794 (5-{2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C1CC(=NO1)C(=O)OCC |c:40| Show InChI InChI=1S/C32H31N7O4/c1-3-5-10-29-33-26-16-15-22(28-18-27(36-43-28)32(41)42-4-2)17-25(26)31(40)39(29)19-20-11-13-21(14-12-20)23-8-6-7-9-24(23)30-34-37-38-35-30/h6-9,11-17,28H,3-5,10,18-19H2,1-2H3,(H,34,35,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro Angiotensin II receptor antagonism in bovine adrenal cortex tissue.				Bioorg Med Chem Lett 4: 1703-1708 (1994) Article DOI: 10.1016/S0960-894X(00)80365-0 BindingDB Entry DOI: 10.7270/Q2JS9QB3
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282881 (2-Butyl-6-(1-methoxy-1-methyl-ethyl)-3-[2'-(1H-tet...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C(C)(C)OC Show InChI InChI=1S/C30H31N6O2/c1-5-6-11-27-31-26-17-16-22(30(2,3)38-4)18-25(26)29(37)36(27)19-20-12-14-21(15-13-20)23-9-7-8-10-24(23)28-32-34-35-33-28/h7-10,12-18H,5-6,11,19H2,1-4H3/q-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity to angiotensin II receptor in bovine adrenal cortex				Bioorg Med Chem Lett 4: 1819-1824 (1994) Article DOI: 10.1016/S0960-894X(01)80377-2 BindingDB Entry DOI: 10.7270/Q21V5DXH
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50049207 (2-Butyl-6-(1-methoxy-1-methyl-ethyl)-3-[2'-(1H-tet...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)(C)OC Show InChI InChI=1S/C30H32N6O2/c1-5-6-11-27-31-26-17-16-22(30(2,3)38-4)18-25(26)29(37)36(27)19-20-12-14-21(15-13-20)23-9-7-8-10-24(23)28-32-34-35-33-28/h7-10,12-18H,5-6,11,19H2,1-4H3,(H,32,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro Angiotensin II receptor antagonism in bovine adrenal cortex tissue.				Bioorg Med Chem Lett 4: 1703-1708 (1994) Article DOI: 10.1016/S0960-894X(00)80365-0 BindingDB Entry DOI: 10.7270/Q2JS9QB3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50395533 (CHEMBL2164415) Show SMILES O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CCNCC1 Show InChI InChI=1S/C23H28N4O4S2/c28-32(29)13-8-18(9-14-32)27-33(30,31)19-3-1-16(2-4-19)20-7-12-25-23-21(20)15-22(26-23)17-5-10-24-11-6-17/h1-4,7,12,15,17-18,24,27H,5-6,8-11,13-14H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK1 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282888 (2-Butyl-6-((2S,3aS,8aR)-6,6-dimethyl-octahydro-fur...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H]1C[C@@H]2[C@H](O1)ON1C2CCC1(C)C Show InChI InChI=1S/C36H39N7O3/c1-4-5-10-32-37-29-16-15-24(31-20-28-30-17-18-36(2,3)43(30)46-35(28)45-31)19-27(29)34(44)42(32)21-22-11-13-23(14-12-22)25-8-6-7-9-26(25)33-38-40-41-39-33/h6-9,11-16,19,28,30-31,35H,4-5,10,17-18,20-21H2,1-3H3,(H,38,39,40,41)/t28-,30?,31-,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity to angiotensin II receptor in bovine adrenal cortex				Bioorg Med Chem Lett 4: 1819-1824 (1994) Article DOI: 10.1016/S0960-894X(01)80377-2 BindingDB Entry DOI: 10.7270/Q21V5DXH
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282798 (2-Butyl-6-(2S,3aR)-hexahydro-pyrrolo[1,2-b]isoxazo...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H]1C[C@H]2CCCN2O1 Show InChI InChI=1S/C32H33N7O2/c1-2-3-10-30-33-28-16-15-23(29-19-24-7-6-17-39(24)41-29)18-27(28)32(40)38(30)20-21-11-13-22(14-12-21)25-8-4-5-9-26(25)31-34-36-37-35-31/h4-5,8-9,11-16,18,24,29H,2-3,6-7,10,17,19-20H2,1H3,(H,34,35,36,37)/t24-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro Angiotensin II receptor antagonism in bovine adrenal cortex tissue.				Bioorg Med Chem Lett 4: 1703-1708 (1994) Article DOI: 10.1016/S0960-894X(00)80365-0 BindingDB Entry DOI: 10.7270/Q2JS9QB3
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282806 (2-Butyl-6-((2S,3aR)-2-hydroxymethyl-hexahydro-pyrr...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@]1(CO)C[C@H]2CCCN2O1 Show InChI InChI=1S/C33H35N7O3/c1-2-3-10-30-34-29-16-15-24(33(21-41)19-25-7-6-17-40(25)43-33)18-28(29)32(42)39(30)20-22-11-13-23(14-12-22)26-8-4-5-9-27(26)31-35-37-38-36-31/h4-5,8-9,11-16,18,25,41H,2-3,6-7,10,17,19-21H2,1H3,(H,35,36,37,38)/t25-,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro Angiotensin II receptor antagonism in bovine adrenal cortex tissue.				Bioorg Med Chem Lett 4: 1703-1708 (1994) Article DOI: 10.1016/S0960-894X(00)80365-0 BindingDB Entry DOI: 10.7270/Q2JS9QB3
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282821 (2-Butyl-6-((2S,3aR)-2-methyl-hexahydro-pyrrolo[1,2...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C1(C)CC2CCCN2O1 Show InChI InChI=1S/C33H34N7O2/c1-3-4-11-30-34-29-17-16-24(33(2)20-25-8-7-18-40(25)42-33)19-28(29)32(41)39(30)21-22-12-14-23(15-13-22)26-9-5-6-10-27(26)31-35-37-38-36-31/h5-6,9-10,12-17,19,25H,3-4,7-8,11,18,20-21H2,1-2H3/q-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound expressed as inhibitory concentration towards bovine adrenal cortex angiotensin II receptor was measured				Bioorg Med Chem Lett 4: 1709-1714 (1994) Article DOI: 10.1016/S0960-894X(00)80366-2 BindingDB Entry DOI: 10.7270/Q2F18ZN4
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282821 (2-Butyl-6-((2S,3aR)-2-methyl-hexahydro-pyrrolo[1,2...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C1(C)CC2CCCN2O1 Show InChI InChI=1S/C33H34N7O2/c1-3-4-11-30-34-29-17-16-24(33(2)20-25-8-7-18-40(25)42-33)19-28(29)32(41)39(30)21-22-12-14-23(15-13-22)26-9-5-6-10-27(26)31-35-37-38-36-31/h5-6,9-10,12-17,19,25H,3-4,7-8,11,18,20-21H2,1-2H3/q-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound expressed as inhibitory concentration towards bovine adrenal cortex angiotensin II receptor was measured				Bioorg Med Chem Lett 4: 1709-1714 (1994) Article DOI: 10.1016/S0960-894X(00)80366-2 BindingDB Entry DOI: 10.7270/Q2F18ZN4
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282802 (2-Butyl-6-(2S,3aR)-hexahydro-isoxazolo[2,3-a]pyrid...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H]1C[C@H]2CCCCN2O1 Show InChI InChI=1S/C33H35N7O2/c1-2-3-11-31-34-29-17-16-24(30-20-25-8-6-7-18-40(25)42-30)19-28(29)33(41)39(31)21-22-12-14-23(15-13-22)26-9-4-5-10-27(26)32-35-37-38-36-32/h4-5,9-10,12-17,19,25,30H,2-3,6-8,11,18,20-21H2,1H3,(H,35,36,37,38)/t25-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro Angiotensin II receptor antagonism in bovine adrenal cortex tissue.				Bioorg Med Chem Lett 4: 1703-1708 (1994) Article DOI: 10.1016/S0960-894X(00)80365-0 BindingDB Entry DOI: 10.7270/Q2JS9QB3
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282898 (2-Butyl-6-((1S,3aR,8aS,8bR)-6,6-dimethyl-octahydro...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@H]1OC[C@@H]2ON3[C@@H](CCC3(C)C)[C@H]12 Show InChI InChI=1S/C36H39N7O3/c1-4-5-10-31-37-28-16-15-24(33-32-29-17-18-36(2,3)43(29)46-30(32)21-45-33)19-27(28)35(44)42(31)20-22-11-13-23(14-12-22)25-8-6-7-9-26(25)34-38-40-41-39-34/h6-9,11-16,19,29-30,32-33H,4-5,10,17-18,20-21H2,1-3H3,(H,38,39,40,41)/t29-,30-,32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity to angiotensin II receptor in bovine adrenal cortex				Bioorg Med Chem Lett 4: 1819-1824 (1994) Article DOI: 10.1016/S0960-894X(01)80377-2 BindingDB Entry DOI: 10.7270/Q21V5DXH
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282818 (2-Butyl-6-((2S,3aR)-6,6-dimethyl-hexahydro-pyrrolo...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H]1C[C@H]2CCC(C)(C)N2O1 Show InChI InChI=1S/C34H37N7O2/c1-4-5-10-31-35-29-16-15-24(30-20-25-17-18-34(2,3)41(25)43-30)19-28(29)33(42)40(31)21-22-11-13-23(14-12-22)26-8-6-7-9-27(26)32-36-38-39-37-32/h6-9,11-16,19,25,30H,4-5,10,17-18,20-21H2,1-3H3,(H,36,37,38,39)/t25-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro Angiotensin II receptor antagonism in bovine adrenal cortex tissue.				Bioorg Med Chem Lett 4: 1703-1708 (1994) Article DOI: 10.1016/S0960-894X(00)80365-0 BindingDB Entry DOI: 10.7270/Q2JS9QB3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50350908 (CHEMBL520308) Show SMILES CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12 Show InChI InChI=1S/C17H19N3O3S/c1-12-11-16-15(7-8-18-17(16)19-12)13-3-5-14(6-4-13)24(22,23)20(2)9-10-21/h3-8,11,21H,9-10H2,1-2H3,(H,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282886 (2-Butyl-6-((3S,3aS,6aS)-2-methyl-4-oxo-hexahydro-c...) Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H]1[C@H]2[C@H](CCC2=O)ON1C Show InChI InChI=1S/C33H33N7O3/c1-3-4-9-29-34-26-15-14-22(31-30-27(41)16-17-28(30)43-39(31)2)18-25(26)33(42)40(29)19-20-10-12-21(13-11-20)23-7-5-6-8-24(23)32-35-37-38-36-32/h5-8,10-15,18,28,30-31H,3-4,9,16-17,19H2,1-2H3,(H,35,36,37,38)/t28-,30+,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity to angiotensin II receptor in bovine adrenal cortex				Bioorg Med Chem Lett 4: 1819-1824 (1994) Article DOI: 10.1016/S0960-894X(01)80377-2 BindingDB Entry DOI: 10.7270/Q21V5DXH
					More data for this Ligand-Target Pair

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