Compile Data Set for Download or QSAR

Found 257 hits with Last Name = 'dennis' and Initial = 'm'   

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
Estrogen receptor (Mus musculus)	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor in mouse COS7 cells by competitive binding assay				Nat Chem Biol 5: 421-7 (2009) Article DOI: 10.1038/nchembio.168 BindingDB Entry DOI: 10.7270/Q2RB74TZ
					More data for this Ligand-Target Pair
Estrogen receptor beta (Mus musculus)	BDBM50303804 ((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-3...) Show SMILES Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12 |r,c:22| Show InChI InChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Binding affinity to ERbeta receptor in mouse COS7 cells by competitive binding assay				Nat Chem Biol 5: 421-7 (2009) Article DOI: 10.1038/nchembio.168 BindingDB Entry DOI: 10.7270/Q2RB74TZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263148 (CHEMBL476578 | N-((R)-1-(4-(5-fluoro-4-(1-isopropy...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CC[C@H](C2)NC(C)=O)ncc1F |r| Show InChI InChI=1S/C23H28FN7O/c1-14(2)31-15(3)25-12-21(31)22-20(24)11-26-23(29-22)28-17-5-7-19(8-6-17)30-10-9-18(13-30)27-16(4)32/h5-8,11-12,14,18H,9-10,13H2,1-4H3,(H,27,32)(H,26,28,29)/t18-/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	>0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263147 (CHEMBL476577 | N-(1-(4-(5-fluoro-4-(1-isopropyl-2-...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CC(C2)NC(C)=O)ncc1F Show InChI InChI=1S/C22H26FN7O/c1-13(2)30-14(3)24-10-20(30)21-19(23)9-25-22(28-21)27-16-5-7-18(8-6-16)29-11-17(12-29)26-15(4)31/h5-10,13,17H,11-12H2,1-4H3,(H,26,31)(H,25,27,28)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422267 (CHEMBL263079) Show SMILES CCNc1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)nc1OC Show InChI InChI=1S/C17H17BrN4O3S/c1-3-19-13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)22-16-17(25-2)21-15(18)10-20-16/h4-10,19H,3H2,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt 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
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263068 (CHEMBL477785 | N-(4-(4-(2-(dimethylamino)ethylsulf...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(=O)(=O)CCN(C)C)n1 Show InChI InChI=1S/C25H36N8O2S/c1-19(2)33-20(3)27-18-24(33)23-10-11-26-25(29-23)28-21-6-8-22(9-7-21)31-12-14-32(15-13-31)36(34,35)17-16-30(4)5/h6-11,18-19H,12-17H2,1-5H3,(H,26,28,29)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263026 (CHEMBL478407 | N-(4-fluorophenyl)-4-(1-isopropyl-2...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(F)cc2)n1 Show InChI InChI=1S/C17H18FN5/c1-11(2)23-12(3)20-10-16(23)15-8-9-19-17(22-15)21-14-6-4-13(18)5-7-14/h4-11H,1-3H3,(H,19,21,22)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					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
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
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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263112 (1-(4-(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imida...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CO)ncc1F Show InChI InChI=1S/C23H28FN7O2/c1-15(2)31-16(3)25-13-20(31)22-19(24)12-26-23(28-22)27-17-4-6-18(7-5-17)29-8-10-30(11-9-29)21(33)14-32/h4-7,12-13,15,32H,8-11,14H2,1-3H3,(H,26,27,28)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422250 (CHEMBL268174) Show SMILES COc1nc(C)cnc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C18H20N4O3S/c1-12-11-19-17(18(20-12)25-4)21-26(23,24)16-10-6-7-13-14(16)8-5-9-15(13)22(2)3/h5-11H,1-4H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263146 (5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1F Show InChI InChI=1S/C21H25FN6O/c1-14(2)28-15(3)23-13-19(28)20-18(22)12-24-21(26-20)25-16-4-6-17(7-5-16)27-8-10-29-11-9-27/h4-7,12-14H,8-11H2,1-3H3,(H,24,25,26)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50262981 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-met...) Show SMILES COc1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 Show InChI InChI=1S/C18H21N5O/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(24-4)8-6-14/h5-12H,1-4H3,(H,19,21,22)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263113 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-mor...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H26N6O/c1-15(2)27-16(3)23-14-20(27)19-8-9-22-21(25-19)24-17-4-6-18(7-5-17)26-10-12-28-13-11-26/h4-9,14-15H,10-13H2,1-3H3,(H,22,24,25)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422234 (CHEMBL6412) Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C17H17ClN4O3S/c1-22(2)13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)21-16-17(25-3)20-15(18)10-19-16/h4-10H,1-3H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
G-protein coupled estrogen receptor 1 (Homo sapiens (Human))	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
New Mexico State University Curated by ChEMBL					Assay Description Binding affinity to GPR30				J Med Chem 53: 1004-14 (2010) Article DOI: 10.1021/jm9011802 BindingDB Entry DOI: 10.7270/Q2571C3V
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422254 (CHEMBL6785) Show SMILES CCN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)nc1OC Show InChI InChI=1S/C18H19BrN4O3S/c1-4-23(2)14-9-5-8-13-12(14)7-6-10-15(13)27(24,25)22-17-18(26-3)21-16(19)11-20-17/h5-11H,4H2,1-3H3,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I] ET-1 to human Endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50003386 (2-Ethyl-5-methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2c(C)cccc2n1 Show InChI InChI=1S/C26H23N5O/c1-3-20-15-24(25-17(2)7-6-10-23(25)27-20)32-16-18-11-13-19(14-12-18)21-8-4-5-9-22(21)26-28-30-31-29-26/h4-15H,3,16H2,1-2H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation				J Med Chem 35: 4027-38 (1992) BindingDB Entry DOI: 10.7270/Q2G44P8Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50047119 (3-Benzyl-2,6-dimethyl-4-[2'-(1H-tetrazol-5-yl)-bip...) Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(Cc2ccccc2)c(C)n1 Show InChI InChI=1S/C28H25N5O/c1-19-16-27(26(20(2)29-19)17-21-8-4-3-5-9-21)34-18-22-12-14-23(15-13-22)24-10-6-7-11-25(24)28-30-32-33-31-28/h3-16H,17-18H2,1-2H3,(H,30,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	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)	BDBM50047132 (2,6-Diethyl-3-iodo-4-[2'-(2H-tetrazol-5-yl)-biphen...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(I)c(CC)n1 Show InChI InChI=1S/C23H22IN5O/c1-3-17-13-21(22(24)20(4-2)25-17)30-14-15-9-11-16(12-10-15)18-7-5-6-8-19(18)23-26-28-29-27-23/h5-13H,3-4,14H2,1-2H3,(H,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422257 (CHEMBL6555) Show SMILES CNc1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)nc1OC Show InChI InChI=1S/C16H15BrN4O3S/c1-18-12-7-3-6-11-10(12)5-4-8-13(11)25(22,23)21-15-16(24-2)20-14(17)9-19-15/h3-9,18H,1-2H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50003392 (2-Methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...) Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1 Show InChI InChI=1S/C24H19N5O/c1-16-14-23(21-8-4-5-9-22(21)25-16)30-15-17-10-12-18(13-11-17)19-6-2-3-7-20(19)24-26-28-29-27-24/h2-14H,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	16	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)	BDBM50003392 (2-Methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...) Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1 Show InChI InChI=1S/C24H19N5O/c1-16-14-23(21-8-4-5-9-22(21)25-16)30-15-17-10-12-18(13-11-17)19-6-2-3-7-20(19)24-26-28-29-27-24/h2-14H,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	16	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation				J Med Chem 35: 4027-38 (1992) BindingDB Entry DOI: 10.7270/Q2G44P8Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263110 (2-(dimethylamino)-1-(4-(4-(4-(1-isopropyl-2-methyl...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CN(C)C)n1 Show InChI InChI=1S/C25H34N8O/c1-18(2)33-19(3)27-16-23(33)22-10-11-26-25(29-22)28-20-6-8-21(9-7-20)31-12-14-32(15-13-31)24(34)17-30(4)5/h6-11,16,18H,12-15,17H2,1-5H3,(H,26,28,29)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263070 (2-hydroxy-1-(4-(4-(4-(1-isopropyl-2-methyl-1H-imid...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CO)n1 Show InChI InChI=1S/C23H29N7O2/c1-16(2)30-17(3)25-14-21(30)20-8-9-24-23(27-20)26-18-4-6-19(7-5-18)28-10-12-29(13-11-28)22(32)15-31/h4-9,14,16,31H,10-13,15H2,1-3H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263071 ((2S)-2-hydroxy-1-(4-(4-(4-(1-isopropyl-2-methyl-1H...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)[C@H](C)O)n1 |r| Show InChI InChI=1S/C24H31N7O2/c1-16(2)31-18(4)26-15-22(31)21-9-10-25-24(28-21)27-19-5-7-20(8-6-19)29-11-13-30(14-12-29)23(33)17(3)32/h5-10,15-17,32H,11-14H2,1-4H3,(H,25,27,28)/t17-/m0/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	17	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50009714 (CHEMBL191 | {2-Butyl-5-chloro-3-[2'-(2H-tetrazol-5...) Show SMILES CCCCC1=NC(Cl)C(CO)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C22H25ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,19,21,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	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)	BDBM50406795 (Cozaar | LOSARTAN POTASSIUM) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1 Show InChI InChI=1S/C22H22ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3/q-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation				J Med Chem 35: 4027-38 (1992) BindingDB Entry DOI: 10.7270/Q2G44P8Q
					More data for this Ligand-Target Pair
G-protein coupled estrogen receptor 1 (Homo sapiens (Human))	BDBM50303804 ((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-3...) Show SMILES Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12 |r,c:22| Show InChI InChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
New Mexico State University Curated by ChEMBL					Assay Description Binding affinity to GPR30				J Med Chem 53: 1004-14 (2010) Article DOI: 10.1021/jm9011802 BindingDB Entry DOI: 10.7270/Q2571C3V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50003400 (2-Ethyl-6-methoxy-4-[2'-(1H-tetrazol-5-yl)-bipheny...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2cc(OC)ccc2n1 Show InChI InChI=1S/C26H23N5O2/c1-3-19-14-25(23-15-20(32-2)12-13-24(23)27-19)33-16-17-8-10-18(11-9-17)21-6-4-5-7-22(21)26-28-30-31-29-26/h4-15H,3,16H2,1-2H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation				J Med Chem 35: 4027-38 (1992) BindingDB Entry DOI: 10.7270/Q2G44P8Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50047125 (2-Ethyl-6-methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCc1nc(C)cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c1C(=O)OC Show InChI InChI=1S/C24H23N5O3/c1-4-20-22(24(30)31-3)21(13-15(2)25-20)32-14-16-9-11-17(12-10-16)18-7-5-6-8-19(18)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	23	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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50262980 (CHEMBL476518 | N1-(4-(1-isopropyl-2-methyl-1H-imid...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N(C)C)n1 Show InChI InChI=1S/C19H24N6/c1-13(2)25-14(3)21-12-18(25)17-10-11-20-19(23-17)22-15-6-8-16(9-7-15)24(4)5/h6-13H,1-5H3,(H,20,22,23)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50047115 (2,6-Dimethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-y...) Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(c(C)n1)-c1ccncc1 Show InChI InChI=1S/C26H22N6O/c1-17-15-24(25(18(2)28-17)21-11-13-27-14-12-21)33-16-19-7-9-20(10-8-19)22-5-3-4-6-23(22)26-29-31-32-30-26/h3-15H,16H2,1-2H3,(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	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)	BDBM50047127 (2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2CCCCCc2n1 Show InChI InChI=1S/C26H27N5O/c1-2-20-16-25(23-10-4-3-5-11-24(23)27-20)32-17-18-12-14-19(15-13-18)21-8-6-7-9-22(21)26-28-30-31-29-26/h6-9,12-16H,2-5,10-11,17H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	25	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)	BDBM50003403 (2-Ethyl-6-isopropoxy-4-[2'-(1H-tetrazol-5-yl)-biph...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2cc(OC(C)C)ccc2n1 Show InChI InChI=1S/C28H27N5O2/c1-4-21-15-27(25-16-22(35-18(2)3)13-14-26(25)29-21)34-17-19-9-11-20(12-10-19)23-7-5-6-8-24(23)28-30-32-33-31-28/h5-16,18H,4,17H2,1-3H3,(H,30,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation				J Med Chem 35: 4027-38 (1992) BindingDB Entry DOI: 10.7270/Q2G44P8Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50003377 (2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2cc(OCC(F)(F)F)ccc2n1 Show InChI InChI=1S/C27H22F3N5O2/c1-2-19-13-25(23-14-20(11-12-24(23)31-19)37-16-27(28,29)30)36-15-17-7-9-18(10-8-17)21-5-3-4-6-22(21)26-32-34-35-33-26/h3-14H,2,15-16H2,1H3,(H,32,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation				J Med Chem 35: 4027-38 (1992) BindingDB Entry DOI: 10.7270/Q2G44P8Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50047131 (1-{2,6-Dimethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-...) Show SMILES CC(=O)c1c(C)nc(C)cc1OCc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C23H21N5O2/c1-14-12-21(22(16(3)29)15(2)24-14)30-13-17-8-10-18(11-9-17)19-6-4-5-7-20(19)23-25-27-28-26-23/h4-12H,13H2,1-3H3,(H,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	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)	BDBM50003387 (2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1 Show InChI InChI=1S/C25H21N5O/c1-2-19-15-24(22-9-5-6-10-23(22)26-19)31-16-17-11-13-18(14-12-17)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-15H,2,16H2,1H3,(H,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation				J Med Chem 35: 4027-38 (1992) BindingDB Entry DOI: 10.7270/Q2G44P8Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50003387 (2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1 Show InChI InChI=1S/C25H21N5O/c1-2-19-15-24(22-9-5-6-10-23(22)26-19)31-16-17-11-13-18(14-12-17)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-15H,2,16H2,1H3,(H,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	31	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)	BDBM50047118 (3-Iodo-2,6-dimethyl-4-[2'-(1H-tetrazol-5-yl)-biphe...) Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(I)c(C)n1 Show InChI InChI=1S/C21H18IN5O/c1-13-11-19(20(22)14(2)23-13)28-12-15-7-9-16(10-8-15)17-5-3-4-6-18(17)21-24-26-27-25-21/h3-11H,12H2,1-2H3,(H,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	34	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)	BDBM50003394 (2-Methyl-4-{1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl...) Show SMILES CC(Oc1cc(C)nc2ccccc12)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C25H21N5O/c1-16-15-24(22-9-5-6-10-23(22)26-16)31-17(2)18-11-13-19(14-12-18)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-15,17H,1-2H3,(H,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation				J Med Chem 35: 4027-38 (1992) BindingDB Entry DOI: 10.7270/Q2G44P8Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263149 ((2S)-1-(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imi...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CCC[C@H]2C(=O)N(C)C)ncc1F |r| Show InChI InChI=1S/C24H30FN7O/c1-15(2)32-16(3)26-14-21(32)22-19(25)13-27-24(29-22)28-17-8-10-18(11-9-17)31-12-6-7-20(31)23(33)30(4)5/h8-11,13-15,20H,6-7,12H2,1-5H3,(H,27,28,29)/t20-/m0/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	46	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 18: 4442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50047126 (2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1 Show InChI InChI=1S/C25H25N5O/c1-2-19-15-24(22-9-5-6-10-23(22)26-19)31-16-17-11-13-18(14-12-17)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-4,7-8,11-15H,2,5-6,9-10,16H2,1H3,(H,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	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)	BDBM50047124 (2,6-Dimethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-y...) Show SMILES COC(=O)c1c(C)nc(C)cc1OCc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C23H21N5O3/c1-14-12-20(21(15(2)24-14)23(29)30-3)31-13-16-8-10-17(11-9-16)18-6-4-5-7-19(18)22-25-27-28-26-22/h4-12H,13H2,1-3H3,(H,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	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

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