Compile Data Set for Download or QSAR

Found 140 hits with Last Name = 'esmaeil' and Initial = 'n'   

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 (Homo sapiens (Human))	BDBM50347563 (CHEMBL1801740) Show SMILES CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C29H31N7/c1-5-26-31-27-18(4)15-21(14-17(2)3)30-29(27)36(26)25-13-11-20-16-19(10-12-23(20)25)22-8-6-7-9-24(22)28-32-34-35-33-28/h6-10,12,15-17,25H,5,11,13-14H2,1-4H3,(H,32,33,34,35)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human Angiotensin receptor 1				J Med Chem 54: 4219-33 (2011) Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50347563 (CHEMBL1801740) Show SMILES CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C29H31N7/c1-5-26-31-27-18(4)15-21(14-17(2)3)30-29(27)36(26)25-13-11-20-16-19(10-12-23(20)25)22-8-6-7-9-24(22)28-32-34-35-33-28/h6-10,12,15-17,25H,5,11,13-14H2,1-4H3,(H,32,33,34,35)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human Angiotensin receptor 2				J Med Chem 54: 4219-33 (2011) Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50043280 (4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...) Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting				J Med Chem 54: 4219-33 (2011) Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50043280 (4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...) Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50222709 (3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...) Show SMILES OCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,20,22H,5-6H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50347563 (CHEMBL1801740) Show SMILES CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C29H31N7/c1-5-26-31-27-18(4)15-21(14-17(2)3)30-29(27)36(26)25-13-11-20-16-19(10-12-23(20)25)22-8-6-7-9-24(22)28-32-34-35-33-28/h6-10,12,15-17,25H,5,11,13-14H2,1-4H3,(H,32,33,34,35)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50347563 (CHEMBL1801740) Show SMILES CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C29H31N7/c1-5-26-31-27-18(4)15-21(14-17(2)3)30-29(27)36(26)25-13-11-20-16-19(10-12-23(20)25)22-8-6-7-9-24(22)28-32-34-35-33-28/h6-10,12,15-17,25H,5,11,13-14H2,1-4H3,(H,32,33,34,35)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting				J Med Chem 54: 4219-33 (2011) Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50222709 (3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...) Show SMILES OCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,20,22H,5-6H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting				J Med Chem 54: 4219-33 (2011) Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50347564 (CHEMBL1801741) Show SMILES CC(C)Cc1cc(C)c2nc(C(C)C)n([C@H]3CCc4cc(ccc34)-c3ccccc3-c3nnn[nH]3)c2n1 |r| Show InChI InChI=1S/C30H33N7/c1-17(2)14-22-15-19(5)27-30(31-22)37(29(32-27)18(3)4)26-13-11-21-16-20(10-12-24(21)26)23-8-6-7-9-25(23)28-33-35-36-34-28/h6-10,12,15-18,26H,11,13-14H2,1-5H3,(H,33,34,35,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting				J Med Chem 54: 4219-33 (2011) Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476830 (CHEMBL442235) Show SMILES Cn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O Show InChI InChI=1S/C13H11FIN3O2/c1-18-6-8(13(16)20)11(5-12(18)19)17-10-3-2-7(15)4-9(10)14/h2-6,17H,1H3,(H2,16,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476834 (CHEMBL234887) Show SMILES Cn1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)cc1=O Show InChI InChI=1S/C15H15FIN3O4/c1-20-8-10(15(23)19-24-5-4-21)13(7-14(20)22)18-12-3-2-9(17)6-11(12)16/h2-3,6-8,18,21H,4-5H2,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50426788 (CHEMBL2322444) Show SMILES CCc1nc2ccn(Cc3ccccc3C)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C32H29N7O/c1-3-29-33-27-16-17-38(19-23-9-5-4-8-20(23)2)32(40)30(27)39(29)28-15-13-22-18-21(12-14-25(22)28)24-10-6-7-11-26(24)31-34-36-37-35-31/h4-12,14,16-18,28H,3,13,15,19H2,1-2H3,(H,34,35,36,37)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50347565 (CHEMBL1801743) Show SMILES CCc1nc2c(C)cc(Cc3ccccc3)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C32H29N7/c1-3-29-34-30-20(2)17-24(18-21-9-5-4-6-10-21)33-32(30)39(29)28-16-14-23-19-22(13-15-26(23)28)25-11-7-8-12-27(25)31-35-37-38-36-31/h4-13,15,17,19,28H,3,14,16,18H2,1-2H3,(H,35,36,37,38)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting				J Med Chem 54: 4219-33 (2011) Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50347566 (CHEMBL1801738) Show SMILES CCc1nc2c(C)cc(CC)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C27H27N7/c1-4-19-14-16(3)25-27(28-19)34(24(5-2)29-25)23-13-11-18-15-17(10-12-21(18)23)20-8-6-7-9-22(20)26-30-32-33-31-26/h6-10,12,14-15,23H,4-5,11,13H2,1-3H3,(H,30,31,32,33)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting				J Med Chem 54: 4219-33 (2011) Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50426777 (CHEMBL2322175) Show SMILES CCc1nc2c(C)cn(Cc3ccccc3C)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C33H31N7O/c1-4-29-34-30-21(3)18-39(19-24-10-6-5-9-20(24)2)33(41)31(30)40(29)28-16-14-23-17-22(13-15-26(23)28)25-11-7-8-12-27(25)32-35-37-38-36-32/h5-13,15,17-18,28H,4,14,16,19H2,1-3H3,(H,35,36,37,38)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50426776 (CHEMBL2322176) Show SMILES CCc1nc2c(C)cn(Cc3ccccc3C#N)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C33H28N8O/c1-3-29-35-30-20(2)18-40(19-24-9-5-4-8-23(24)17-34)33(42)31(30)41(29)28-15-13-22-16-21(12-14-26(22)28)25-10-6-7-11-27(25)32-36-38-39-37-32/h4-12,14,16,18,28H,3,13,15,19H2,1-2H3,(H,36,37,38,39)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50347567 (CHEMBL1801712) Show SMILES CCc1nc2c(C)cc(C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C26H25N7/c1-4-23-28-24-15(2)13-16(3)27-26(24)33(23)22-12-10-18-14-17(9-11-20(18)22)19-7-5-6-8-21(19)25-29-31-32-30-25/h5-9,11,13-14,22H,4,10,12H2,1-3H3,(H,29,30,31,32)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting				J Med Chem 54: 4219-33 (2011) Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50347568 (CHEMBL1801735) Show SMILES Cc1cc(C)c2nc(C3CC3)n([C@H]3CCc4cc(ccc34)-c3ccccc3-c3nnn[nH]3)c2n1 |r| Show InChI InChI=1S/C27H25N7/c1-15-13-16(2)28-27-24(15)29-26(17-7-8-17)34(27)23-12-10-19-14-18(9-11-21(19)23)20-5-3-4-6-22(20)25-30-32-33-31-25/h3-6,9,11,13-14,17,23H,7-8,10,12H2,1-2H3,(H,30,31,32,33)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting				J Med Chem 54: 4219-33 (2011) Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50347569 (CHEMBL1801734) Show SMILES CC(C)c1nc2c(C)cc(C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C27H27N7/c1-15(2)26-29-24-16(3)13-17(4)28-27(24)34(26)23-12-10-19-14-18(9-11-21(19)23)20-7-5-6-8-22(20)25-30-32-33-31-25/h5-9,11,13-15,23H,10,12H2,1-4H3,(H,30,31,32,33)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting				J Med Chem 54: 4219-33 (2011) Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50347570 (CHEMBL1801744) Show SMILES CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C29H31N3O2/c1-5-26-31-27-18(4)15-21(14-17(2)3)30-28(27)32(26)25-13-11-20-16-19(10-12-23(20)25)22-8-6-7-9-24(22)29(33)34/h6-10,12,15-17,25H,5,11,13-14H2,1-4H3,(H,33,34)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting				J Med Chem 54: 4219-33 (2011) Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50426774 (CHEMBL2322437) Show SMILES CCc1nc2ccn(Cc3ccccc3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C31H27N7O/c1-2-28-32-26-16-17-37(19-20-8-4-3-5-9-20)31(39)29(26)38(28)27-15-13-22-18-21(12-14-24(22)27)23-10-6-7-11-25(23)30-33-35-36-34-30/h3-12,14,16-18,27H,2,13,15,19H2,1H3,(H,33,34,35,36)/t27-/m0/s1	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50347571 (CHEMBL1801714) Show SMILES CCCc1nc2c(C)cc(C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C27H27N7/c1-4-7-24-29-25-16(2)14-17(3)28-27(25)34(24)23-13-11-19-15-18(10-12-21(19)23)20-8-5-6-9-22(20)26-30-32-33-31-26/h5-6,8-10,12,14-15,23H,4,7,11,13H2,1-3H3,(H,30,31,32,33)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting				J Med Chem 54: 4219-33 (2011) Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50426787 (CHEMBL2322445) Show SMILES CCc1nc2ccn(Cc3ccccc3C#N)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C32H26N8O/c1-2-29-34-27-15-16-39(19-23-8-4-3-7-22(23)18-33)32(41)30(27)40(29)28-14-12-21-17-20(11-13-25(21)28)24-9-5-6-10-26(24)31-35-37-38-36-31/h3-11,13,15-17,28H,2,12,14,19H2,1H3,(H,35,36,37,38)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50347572 (CHEMBL1801737) Show SMILES CCc1nc2c(C)c(CC)c(C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C28H29N7/c1-5-20-16(3)26-28(29-17(20)4)35(25(6-2)30-26)24-14-12-19-15-18(11-13-22(19)24)21-9-7-8-10-23(21)27-31-33-34-32-27/h7-11,13,15,24H,5-6,12,14H2,1-4H3,(H,31,32,33,34)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting				J Med Chem 54: 4219-33 (2011) Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50132260 (2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmetho...) Show SMILES Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F Show InChI InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50347573 (CHEMBL1801739) Show SMILES CCc1cc(C)c2nc(C(C)C)n([C@H]3CCc4cc(ccc34)-c3ccccc3-c3nnn[nH]3)c2n1 |r| Show InChI InChI=1S/C28H29N7/c1-5-20-14-17(4)25-28(29-20)35(27(30-25)16(2)3)24-13-11-19-15-18(10-12-22(19)24)21-8-6-7-9-23(21)26-31-33-34-32-26/h6-10,12,14-16,24H,5,11,13H2,1-4H3,(H,31,32,33,34)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting				J Med Chem 54: 4219-33 (2011) Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476829 (CHEMBL396548) Show SMILES NC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C13H8F3IN2O/c14-8-3-2-7(13(18)20)12(11(8)16)19-10-4-1-6(17)5-9(10)15/h1-5,19H,(H2,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476834 (CHEMBL234887) Show SMILES Cn1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)cc1=O Show InChI InChI=1S/C15H15FIN3O4/c1-20-8-10(15(23)19-24-5-4-21)13(7-14(20)22)18-12-3-2-9(17)6-11(12)16/h2-3,6-8,18,21H,4-5H2,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50426770 (CHEMBL2322441) Show SMILES CCc1nc2ccn(CC(C)C)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C28H29N7O/c1-4-25-29-23-13-14-34(16-17(2)3)28(36)26(23)35(25)24-12-10-19-15-18(9-11-21(19)24)20-7-5-6-8-22(20)27-30-32-33-31-27/h5-9,11,13-15,17,24H,4,10,12,16H2,1-3H3,(H,30,31,32,33)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50426772 (CHEMBL2322439) Show SMILES CCc1nc2ccn(CC(=O)OCc3ccccc3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C33H29N7O3/c1-2-29-34-27-16-17-39(19-30(41)43-20-21-8-4-3-5-9-21)33(42)31(27)40(29)28-15-13-23-18-22(12-14-25(23)28)24-10-6-7-11-26(24)32-35-37-38-36-32/h3-12,14,16-18,28H,2,13,15,19-20H2,1H3,(H,35,36,37,38)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476826 (CHEMBL243457) Show SMILES Cn1cc(C(N)=O)c(Nc2ccc(cc2F)C#C)cc1=O Show InChI InChI=1S/C15H12FN3O2/c1-3-9-4-5-12(11(16)6-9)18-13-7-14(20)19(2)8-10(13)15(17)21/h1,4-8,18H,2H3,(H2,17,21)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476830 (CHEMBL442235) Show SMILES Cn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O Show InChI InChI=1S/C13H11FIN3O2/c1-18-6-8(13(16)20)11(5-12(18)19)17-10-3-2-7(15)4-9(10)14/h2-6,17H,1H3,(H2,16,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50426773 (CHEMBL2322438) Show SMILES CCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C28H28N8O2/c1-4-24-29-22-13-14-35(16-25(37)34(2)3)28(38)26(22)36(24)23-12-10-18-15-17(9-11-20(18)23)19-7-5-6-8-21(19)27-30-32-33-31-27/h5-9,11,13-15,23H,4,10,12,16H2,1-3H3,(H,30,31,32,33)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50426785 (CHEMBL2322447) Show SMILES CCc1nc2ccn(Cc3ccccc3OC(F)(F)F)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C32H26F3N7O2/c1-2-28-36-25-15-16-41(18-21-7-3-6-10-27(21)44-32(33,34)35)31(43)29(25)42(28)26-14-12-20-17-19(11-13-23(20)26)22-8-4-5-9-24(22)30-37-39-40-38-30/h3-11,13,15-17,26H,2,12,14,18H2,1H3,(H,37,38,39,40)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476829 (CHEMBL396548) Show SMILES NC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C13H8F3IN2O/c14-8-3-2-7(13(18)20)12(11(8)16)19-10-4-1-6(17)5-9(10)15/h1-5,19H,(H2,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50426783 (CHEMBL2322449) Show SMILES CCc1nc2ccn(Cc3cccc(C)c3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C32H29N7O/c1-3-29-33-27-15-16-38(19-21-8-6-7-20(2)17-21)32(40)30(27)39(29)28-14-12-23-18-22(11-13-25(23)28)24-9-4-5-10-26(24)31-34-36-37-35-31/h4-11,13,15-18,28H,3,12,14,19H2,1-2H3,(H,34,35,36,37)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50426789 (CHEMBL2322443) Show SMILES CCc1nc2ccn(Cc3ccccc3F)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C31H26FN7O/c1-2-28-33-26-15-16-38(18-21-7-3-6-10-25(21)32)31(40)29(26)39(28)27-14-12-20-17-19(11-13-23(20)27)22-8-4-5-9-24(22)30-34-36-37-35-30/h3-11,13,15-17,27H,2,12,14,18H2,1H3,(H,34,35,36,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50426790 (CHEMBL2322442) Show SMILES CCc1nc2ccn(CC3CCCCC3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C31H33N7O/c1-2-28-32-26-16-17-37(19-20-8-4-3-5-9-20)31(39)29(26)38(28)27-15-13-22-18-21(12-14-24(22)27)23-10-6-7-11-25(23)30-33-35-36-34-30/h6-7,10-12,14,16-18,20,27H,2-5,8-9,13,15,19H2,1H3,(H,33,34,35,36)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50426780 (CHEMBL2322172) Show SMILES CCc1nc2ccn(Cc3cccnc3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C30H26N8O/c1-2-27-32-25-13-15-37(18-19-6-5-14-31-17-19)30(39)28(25)38(27)26-12-10-21-16-20(9-11-23(21)26)22-7-3-4-8-24(22)29-33-35-36-34-29/h3-9,11,13-17,26H,2,10,12,18H2,1H3,(H,33,34,35,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50132260 (2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmetho...) Show SMILES Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F Show InChI InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476841 (CHEMBL234890) Show SMILES Cn1cc(C(=O)NCCCO)c(Nc2ccc(I)cc2F)cc1=O Show InChI InChI=1S/C16H17FIN3O3/c1-21-9-11(16(24)19-5-2-6-22)14(8-15(21)23)20-13-4-3-10(18)7-12(13)17/h3-4,7-9,20,22H,2,5-6H2,1H3,(H,19,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50426778 (CHEMBL2322174) Show SMILES CCc1nc2ccn(Cc3c(C)noc3C)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C30H28N8O2/c1-4-27-31-25-13-14-37(16-24-17(2)34-40-18(24)3)30(39)28(25)38(27)26-12-10-20-15-19(9-11-22(20)26)21-7-5-6-8-23(21)29-32-35-36-33-29/h5-9,11,13-15,26H,4,10,12,16H2,1-3H3,(H,32,33,35,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476825 (CHEMBL397811) Show SMILES CCOC(=O)c1cn(C)c(=O)cc1Nc1ccc(I)cc1F Show InChI InChI=1S/C15H14FIN2O3/c1-3-22-15(21)10-8-19(2)14(20)7-13(10)18-12-5-4-9(17)6-11(12)16/h4-8,18H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50426781 (CHEMBL2322451) Show SMILES CCc1nc2ccn(Cc3ccccn3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C30H26N8O/c1-2-27-32-25-14-16-37(18-21-7-5-6-15-31-21)30(39)28(25)38(27)26-13-11-20-17-19(10-12-23(20)26)22-8-3-4-9-24(22)29-33-35-36-34-29/h3-10,12,14-17,26H,2,11,13,18H2,1H3,(H,33,34,35,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50426784 (CHEMBL2322448) Show SMILES CCc1nc2ccn(Cc3cccc(F)c3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C31H26FN7O/c1-2-28-33-26-14-15-38(18-19-6-5-7-22(32)16-19)31(40)29(26)39(28)27-13-11-21-17-20(10-12-24(21)27)23-8-3-4-9-25(23)30-34-36-37-35-30/h3-10,12,14-17,27H,2,11,13,18H2,1H3,(H,34,35,36,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476816 (CHEMBL387574) Show SMILES OCCNC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C15H12F3IN2O2/c16-10-3-2-9(15(23)20-5-6-22)14(13(10)18)21-12-4-1-8(19)7-11(12)17/h1-4,7,21-22H,5-6H2,(H,20,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50426782 (CHEMBL2322450) Show SMILES CCc1nc2ccn(Cc3cccc(c3)C(F)(F)F)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C32H26F3N7O/c1-2-28-36-26-14-15-41(18-19-6-5-7-22(16-19)32(33,34)35)31(43)29(26)42(28)27-13-11-21-17-20(10-12-24(21)27)23-8-3-4-9-25(23)30-37-39-40-38-30/h3-10,12,14-17,27H,2,11,13,18H2,1H3,(H,37,38,39,40)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after				Bioorg Med Chem Lett 23: 767-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476816 (CHEMBL387574) Show SMILES OCCNC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C15H12F3IN2O2/c16-10-3-2-9(15(23)20-5-6-22)14(13(10)18)21-12-4-1-8(19)7-11(12)17/h1-4,7,21-22H,5-6H2,(H,20,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476845 (CHEMBL393282) Show SMILES NC(=O)c1cn(CC=C)c(=O)cc1Nc1ccc(I)cc1F Show InChI InChI=1S/C15H13FIN3O2/c1-2-5-20-8-10(15(18)22)13(7-14(20)21)19-12-4-3-9(17)6-11(12)16/h2-4,6-8,19H,1,5H2,(H2,18,22)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair

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