Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'ma' and Initial = 'bb'   

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
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50589230 (CHEMBL5181634) Show SMILES CCCc1cc2c(nc(OCCF)nc2s1)N1CCn2c(C1)nnc2C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128837 BindingDB Entry DOI: 10.7270/Q2765K8C
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50298132 ((4S)4-[({4-[4-(Methoxymethyl)piperidin-1-yl]-6-phe...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(COC)CC1 |r| Show InChI InChI=1S/C34H47N5O7/c1-3-4-8-21-46-34(44)39-19-17-38(18-20-39)33(43)28(11-12-31(40)41)36-32(42)30-23-27(37-15-13-25(14-16-37)24-45-2)22-29(35-30)26-9-6-5-7-10-26/h5-7,9-10,22-23,25,28H,3-4,8,11-21,24H2,1-2H3,(H,36,42)(H,40,41)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128837 BindingDB Entry DOI: 10.7270/Q2765K8C
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397143 (CHEMBL2172140) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C32H43N7O7/c1-2-3-19-45-32(44)37-17-15-36(16-18-37)27(40)21-33-30(42)25-20-29(39(35-25)24-11-5-4-6-12-24)46-22-28(41)38-14-8-13-26(38)31(43)34-23-9-7-10-23/h4-6,11-12,20,23,26H,2-3,7-10,13-19,21-22H2,1H3,(H,33,42)(H,34,43)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128837 BindingDB Entry DOI: 10.7270/Q2765K8C
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50589229 (CHEMBL5203993) Show SMILES NCc1cc2c(nc(nc2s1)N1CCNC(=O)C1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128837 BindingDB Entry DOI: 10.7270/Q2765K8C
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397204 (ELINOGREL) Show SMILES CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F Show InChI InChI=1S/C20H15ClFN5O5S2/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17/h2-9,23H,1H3,(H,25,30)(H2,24,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128837 BindingDB Entry DOI: 10.7270/Q2765K8C
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50268877 (CHEMBL455536 | Disodium 1-Amino-4-[4-phenylamino-3...) Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc(Nc3ccccc3)c(c2)S([O-])(=O)=O)cc1S([O-])(=O)=O Show InChI InChI=1S/C26H19N3O8S2/c27-24-21(39(35,36)37)13-19(22-23(24)26(31)17-9-5-4-8-16(17)25(22)30)29-15-10-11-18(20(12-15)38(32,33)34)28-14-6-2-1-3-7-14/h1-13,28-29H,27H2,(H,32,33,34)(H,35,36,37)/p-2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128837 BindingDB Entry DOI: 10.7270/Q2765K8C
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50118242 (((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...) Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128837 BindingDB Entry DOI: 10.7270/Q2765K8C
					More data for this Ligand-Target Pair				3D Structure (crystal)
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50118225 (ARL 69931MX | Adenosine triphosphate derivative | ...) Show SMILES CSCCNc1nc(SCCC(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128837 BindingDB Entry DOI: 10.7270/Q2765K8C
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Capital Normal University Curated by ChEMBL					Assay Description Inhibition of human dihydrofolate reductase by spectrophotometric analysis				Eur J Med Chem 64: 401-9 (2013) Article DOI: 10.1016/j.ejmech.2013.04.017 BindingDB Entry DOI: 10.7270/Q20P11F4
					More data for this Ligand-Target Pair				3D Structure (crystal)
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397205 (AR-C126532XX | AZD-6140 | AZD6140 | BRILINTA | TIC...) Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128837 BindingDB Entry DOI: 10.7270/Q2765K8C
					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)	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
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50100247 (CHEMBL3325891) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)nn1 Show InChI InChI=1S/C28H31ClN8O3/c1-4-5-24(38)21-15-30-37(18(21)2)26-9-8-25(32-33-26)31-28(40)22-16-36(23-7-6-19(29)14-20(22)23)17-27(39)35-12-10-34(3)11-13-35/h6-9,14-16H,4-5,10-13,17H2,1-3H3,(H,31,32,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128837 BindingDB Entry DOI: 10.7270/Q2765K8C
					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
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)	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)	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)	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)	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
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50003376 (2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2c(cccc2n1)C#N Show InChI InChI=1S/C26H20N6O/c1-2-20-14-24(25-19(15-27)6-5-9-23(25)28-20)33-16-17-10-12-18(13-11-17)21-7-3-4-8-22(21)26-29-31-32-30-26/h3-14H,2,16H2,1H3,(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	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)	BDBM50003398 (2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2cc(ccc2n1)C(=O)OC Show InChI InChI=1S/C27H23N5O3/c1-3-20-15-25(23-14-19(27(33)34-2)12-13-24(23)28-20)35-16-17-8-10-18(11-9-17)21-6-4-5-7-22(21)26-29-31-32-30-26/h4-15H,3,16H2,1-2H3,(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	66	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)	BDBM50003382 (2-Ethyl-6-(2-fluoro-ethoxy)-4-[2'-(1H-tetrazol-5-y...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2cc(OCCF)ccc2n1 Show InChI InChI=1S/C27H24FN5O2/c1-2-20-15-26(24-16-21(34-14-13-28)11-12-25(24)29-20)35-17-18-7-9-19(10-8-18)22-5-3-4-6-23(22)27-30-32-33-31-27/h3-12,15-16H,2,13-14,17H2,1H3,(H,30,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	70	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/Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50005340 (2-Butyl-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C25H24N6/c1-2-3-12-24-26-22-10-6-7-11-23(22)31(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-27-29-30-28-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Concentration required for 50% displacement of the specifically bound [3-[125I]-iodotyrosyl]-angiotensin II from angiotensin II receptor in the membr...				J Med Chem 35: 877-85 (1992) BindingDB Entry DOI: 10.7270/Q23R0W37
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50003404 (5-Chloro-2-ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2c(Cl)cccc2n1 Show InChI InChI=1S/C25H20ClN5O/c1-2-18-14-23(24-21(26)8-5-9-22(24)27-18)32-15-16-10-12-17(13-11-16)19-6-3-4-7-20(19)25-28-30-31-29-25/h3-14H,2,15H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	120	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)	BDBM50003380 (2-Ethyl-7-methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccc(C)cc2n1 Show InChI InChI=1S/C26H23N5O/c1-3-20-15-25(23-13-8-17(2)14-24(23)27-20)32-16-18-9-11-19(12-10-18)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	140	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)	BDBM50003384 (8-Chloro-2-ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2cccc(Cl)c2n1 Show InChI InChI=1S/C25H20ClN5O/c1-2-18-14-23(21-8-5-9-22(26)24(21)27-18)32-15-16-10-12-17(13-11-16)19-6-3-4-7-20(19)25-28-30-31-29-25/h3-14H,2,15H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	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)	BDBM50003395 (7-Chloro-2-ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccc(Cl)cc2n1 Show InChI InChI=1S/C25H20ClN5O/c1-2-19-14-24(22-12-11-18(26)13-23(22)27-19)32-15-16-7-9-17(10-8-16)20-5-3-4-6-21(20)25-28-30-31-29-25/h3-14H,2,15H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	160	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)	BDBM50003381 (4'-(2-Ethyl-quinolin-4-yloxymethyl)-biphenyl-2-car...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2C(O)=O)c2ccccc2n1 Show InChI InChI=1S/C25H21NO3/c1-2-19-15-24(22-9-5-6-10-23(22)26-19)29-16-17-11-13-18(14-12-17)20-7-3-4-8-21(20)25(27)28/h3-15H,2,16H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	170	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)	BDBM50003378 (4'-(2-Methyl-quinolin-4-yloxymethyl)-biphenyl-2-ca...) Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2C(O)=O)c2ccccc2n1 Show InChI InChI=1S/C24H19NO3/c1-16-14-23(21-8-4-5-9-22(21)25-16)28-15-17-10-12-18(13-11-17)19-6-2-3-7-20(19)24(26)27/h2-14H,15H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	180	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)	BDBM50003379 (2-Ethyl-7-methoxy-4-[2'-(1H-tetrazol-5-yl)-bipheny...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccc(OC)cc2n1 Show InChI InChI=1S/C26H23N5O2/c1-3-19-14-25(23-13-12-20(32-2)15-24(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	220	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
Thymidylate synthase (Homo sapiens (Human))	BDBM18795 ((2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquin...) Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Capital Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged thymidylate synthase assessed as N5,N10-methylenetetrahydrofolate oxidation to dihydrofolate after 20 mins...				Eur J Med Chem 64: 401-9 (2013) Article DOI: 10.1016/j.ejmech.2013.04.017 BindingDB Entry DOI: 10.7270/Q20P11F4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50003391 (2-Methyl-4-{2-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl...) Show SMILES Cc1cc(CCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1 Show InChI InChI=1S/C25H21N5/c1-17-16-20(22-7-4-5-9-24(22)26-17)15-12-18-10-13-19(14-11-18)21-6-2-3-8-23(21)25-27-29-30-28-25/h2-11,13-14,16H,12,15H2,1H3,(H,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	270	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)	BDBM50003389 (2,8-Dimethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-y...) Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2cccc(C)c2n1 Show InChI InChI=1S/C25H21N5O/c1-16-6-5-9-22-23(14-17(2)26-24(16)22)31-15-18-10-12-19(13-11-18)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-14H,15H2,1-2H3,(H,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	310	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)	BDBM50003402 (2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2cc(ccc2n1)C#N Show InChI InChI=1S/C26H20N6O/c1-2-20-14-25(23-13-18(15-27)9-12-24(23)28-20)33-16-17-7-10-19(11-8-17)21-5-3-4-6-22(21)26-29-31-32-30-26/h3-14H,2,16H2,1H3,(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	360	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)	BDBM50003406 (2-Methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...) Show SMILES Cc1cc(SCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1 Show InChI InChI=1S/C24H19N5S/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	PubMed	n/a	n/a	370	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)	BDBM50003399 (4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	430	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)	BDBM50003390 (2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccc(cc2n1)C#N Show InChI InChI=1S/C26H20N6O/c1-2-20-14-25(23-12-9-18(15-27)13-24(23)28-20)33-16-17-7-10-19(11-8-17)21-5-3-4-6-22(21)26-29-31-32-30-26/h3-14H,2,16H2,1H3,(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	460	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)	BDBM50003374 (2,6-Dimethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-y...) Show SMILES Cc1ccc2nc(C)cc(OCc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1 Show InChI InChI=1S/C25H21N5O/c1-16-7-12-23-22(13-16)24(14-17(2)26-23)31-15-18-8-10-19(11-9-18)20-5-3-4-6-21(20)25-27-29-30-28-25/h3-14H,15H2,1-2H3,(H,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	470	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/Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50003399 (4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Concentration required for 50% displacement of the specifically bound [3-[125I]-iodotyrosyl]-angiotensin II from angiotensin II receptor in the membr...				J Med Chem 35: 877-85 (1992) BindingDB Entry DOI: 10.7270/Q23R0W37
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50003393 (4'-(2-Propyl-quinolin-4-yloxymethyl)-biphenyl-2-ca...) Show SMILES CCCc1cc(OCc2ccc(cc2)-c2ccccc2C(O)=O)c2ccccc2n1 Show InChI InChI=1S/C26H23NO3/c1-2-7-20-16-25(23-10-5-6-11-24(23)27-20)30-17-18-12-14-19(15-13-18)21-8-3-4-9-22(21)26(28)29/h3-6,8-16H,2,7,17H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	600	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/Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50230428 (CHEMBL352376) Show SMILES CCCCCCc1nc2ccccc2n1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H24N2O2/c1-2-3-4-5-10-20-22-18-8-6-7-9-19(18)23(20)15-16-11-13-17(14-12-16)21(24)25/h6-9,11-14H,2-5,10,15H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.				J Med Chem 35: 877-85 (1992) BindingDB Entry DOI: 10.7270/Q23R0W37
					More data for this Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50230436 (CHEMBL424372) Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1F)C(O)=O Show InChI InChI=1S/C19H19FN2O2/c1-2-3-8-18-21-16-6-4-5-7-17(16)22(18)12-14-10-9-13(19(23)24)11-15(14)20/h4-7,9-11H,2-3,8,12H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.				J Med Chem 35: 877-85 (1992) BindingDB Entry DOI: 10.7270/Q23R0W37
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50003388 (2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2cc(ccc2n1)C(F)(F)F Show InChI InChI=1S/C26H20F3N5O/c1-2-19-14-24(22-13-18(26(27,28)29)11-12-23(22)30-19)35-15-16-7-9-17(10-8-16)20-5-3-4-6-21(20)25-31-33-34-32-25/h3-14H,2,15H2,1H3,(H,31,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	860	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)	BDBM50003396 (2-Ethyl-8-methoxy-4-[2'-(1H-tetrazol-5-yl)-bipheny...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2cccc(OC)c2n1 Show InChI InChI=1S/C26H23N5O2/c1-3-19-15-24(22-9-6-10-23(32-2)25(22)27-19)33-16-17-11-13-18(14-12-17)20-7-4-5-8-21(20)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	960	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)	BDBM50003375 (6-Chloro-2-methyl-4-[2'-(1H-tetrazol-5-yl)-bipheny...) Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2cc(Cl)ccc2n1 Show InChI InChI=1S/C24H18ClN5O/c1-15-12-23(21-13-18(25)10-11-22(21)26-15)31-14-16-6-8-17(9-7-16)19-4-2-3-5-20(19)24-27-29-30-28-24/h2-13H,14H2,1H3,(H,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+3	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)	BDBM50003397 (2-Methyl-4-{2-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl...) Show SMILES Cc1cc(C=Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1 |w:4.3| Show InChI InChI=1S/C25H19N5/c1-17-16-20(22-7-4-5-9-24(22)26-17)15-12-18-10-13-19(14-11-18)21-6-2-3-8-23(21)25-27-29-30-28-25/h2-16H,1H3,(H,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.30E+3	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/Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50230438 (CHEMBL171530) Show SMILES CCCCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H18Cl2N2O2/c1-2-3-4-18-22-16-9-14(20)15(21)10-17(16)23(18)11-12-5-7-13(8-6-12)19(24)25/h5-10H,2-4,11H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.				J Med Chem 35: 877-85 (1992) BindingDB Entry DOI: 10.7270/Q23R0W37
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50434818 (CHEMBL2387094) Show SMILES Nc1nc(N)c2cc(CSC(=S)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)ccc2n1 Show InChI InChI=1S/C20H21N7O2S2/c21-18-16-11-13(1-6-17(16)23-19(22)24-18)12-31-20(30)26-9-7-25(8-10-26)14-2-4-15(5-3-14)27(28)29/h1-6,11H,7-10,12H2,(H4,21,22,23,24)	PDB MMDB 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	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Capital Normal University Curated by ChEMBL					Assay Description Inhibition of human dihydrofolate reductase by spectrophotometric analysis				Eur J Med Chem 64: 401-9 (2013) Article DOI: 10.1016/j.ejmech.2013.04.017 BindingDB Entry DOI: 10.7270/Q20P11F4
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50589231 (CHEBI:87723 | Efient | LY-640315 | NSC-759625 | PR...) Show SMILES CC(=O)Oc1cc2CN(CCc2s1)C(C(=O)C1CC1)c1ccccc1F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128837 BindingDB Entry DOI: 10.7270/Q2765K8C
					More data for this Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50230439 (CHEMBL172344) Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C19H19N3O4/c1-2-3-8-18-20-15-6-4-5-7-16(15)21(18)12-14-10-9-13(19(23)24)11-17(14)22(25)26/h4-7,9-11H,2-3,8,12H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.				J Med Chem 35: 877-85 (1992) BindingDB Entry DOI: 10.7270/Q23R0W37
					More data for this Ligand-Target Pair

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