Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50029346   

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 (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	Article	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibition of specific binding of [I-125]AII to Angiotensin II receptor, type 1 in guinea pig adrenal membrane prepa...				Bioorg Med Chem Lett 4: 2615-2620 (1994) Article DOI: 10.1016/S0960-894X(01)80295-X BindingDB Entry DOI: 10.7270/Q22J6BTX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50283596 (1-[4-(2-Ethyl-5,6,7,8-tetrahydro-quinolin-4-yloxym...) Show SMILES CCc1cc(OCc2ccc(c(c2)C(C)=O)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1 Show InChI InChI=1S/C27H27N5O2/c1-3-19-15-26(23-10-6-7-11-25(23)28-19)34-16-18-12-13-21(24(14-18)17(2)33)20-8-4-5-9-22(20)27-29-31-32-30-27/h4-5,8-9,12-15H,3,6-7,10-11,16H2,1-2H3,(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibition of specific binding of [I-125]AII to AT1 receptor in guinea pig adrenal membrane preparation				Bioorg Med Chem Lett 4: 2615-2620 (1994) Article DOI: 10.1016/S0960-894X(01)80295-X BindingDB Entry DOI: 10.7270/Q22J6BTX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50283591 (4-[2-Chloro-2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmet...) Show SMILES CCc1cc(OCc2ccc(c(Cl)c2)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1 Show InChI InChI=1S/C25H24ClN5O/c1-2-17-14-24(21-9-5-6-10-23(21)27-17)32-15-16-11-12-19(22(26)13-16)18-7-3-4-8-20(18)25-28-30-31-29-25/h3-4,7-8,11-14H,2,5-6,9-10,15H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibition of specific binding of [I-125]AII to AT1 receptor in guinea pig adrenal membrane preparation				Bioorg Med Chem Lett 4: 2615-2620 (1994) Article DOI: 10.1016/S0960-894X(01)80295-X BindingDB Entry DOI: 10.7270/Q22J6BTX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50283597 (2-Ethyl-4-[2-methoxy-2'-(2H-tetrazol-5-yl)-bipheny...) Show SMILES CCc1cc(OCc2ccc(c(OC)c2)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1 Show InChI InChI=1S/C26H27N5O2/c1-3-18-15-25(22-10-6-7-11-23(22)27-18)33-16-17-12-13-20(24(14-17)32-2)19-8-4-5-9-21(19)26-28-30-31-29-26/h4-5,8-9,12-15H,3,6-7,10-11,16H2,1-2H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibition of specific binding of [I-125]AII to AT1 receptor in guinea pig adrenal membrane preparation				Bioorg Med Chem Lett 4: 2615-2620 (1994) Article DOI: 10.1016/S0960-894X(01)80295-X BindingDB Entry DOI: 10.7270/Q22J6BTX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50283587 (2-Ethyl-4-[3-fluoro-2'-(2H-tetrazol-5-yl)-biphenyl...) Show SMILES CCc1cc(OCc2ccc(cc2F)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1 Show InChI InChI=1S/C25H24FN5O/c1-2-18-14-24(21-9-5-6-10-23(21)27-18)32-15-17-12-11-16(13-22(17)26)19-7-3-4-8-20(19)25-28-30-31-29-25/h3-4,7-8,11-14H,2,5-6,9-10,15H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibition of specific binding of [I-125]AII to Angiotensin II receptor, type 1 in guinea pig adrenal membrane prepa...				Bioorg Med Chem Lett 4: 2615-2620 (1994) Article DOI: 10.1016/S0960-894X(01)80295-X BindingDB Entry DOI: 10.7270/Q22J6BTX
					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	Article	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibition of specific binding of [I-125]AII to Angiotensin II receptor, type 1 in guinea pig adrenal membrane prepa...				Bioorg Med Chem Lett 4: 2615-2620 (1994) Article DOI: 10.1016/S0960-894X(01)80295-X BindingDB Entry DOI: 10.7270/Q22J6BTX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50283593 (4-(2-Ethyl-5,6,7,8-tetrahydro-quinolin-4-yloxymeth...) Show SMILES CCc1cc(OCc2ccc(c(c2)C(=O)OC)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1 Show InChI InChI=1S/C27H27N5O3/c1-3-18-15-25(22-10-6-7-11-24(22)28-18)35-16-17-12-13-20(23(14-17)27(33)34-2)19-8-4-5-9-21(19)26-29-31-32-30-26/h4-5,8-9,12-15H,3,6-7,10-11,16H2,1-2H3,(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibition of specific binding of [I-125]AII to AT1 receptor in guinea pig adrenal membrane preparation				Bioorg Med Chem Lett 4: 2615-2620 (1994) Article DOI: 10.1016/S0960-894X(01)80295-X BindingDB Entry DOI: 10.7270/Q22J6BTX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50283590 (4-(2-Ethyl-5,6,7,8-tetrahydro-quinolin-4-yloxymeth...) Show SMILES CCc1cc(OCc2ccc(c(c2)C(O)=O)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1 Show InChI InChI=1S/C26H25N5O3/c1-2-17-14-24(21-9-5-6-10-23(21)27-17)34-15-16-11-12-19(22(13-16)26(32)33)18-7-3-4-8-20(18)25-28-30-31-29-25/h3-4,7-8,11-14H,2,5-6,9-10,15H2,1H3,(H,32,33)(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibition of specific binding of [I-125]AII to AT1 receptor in guinea pig adrenal membrane preparation				Bioorg Med Chem Lett 4: 2615-2620 (1994) Article DOI: 10.1016/S0960-894X(01)80295-X BindingDB Entry DOI: 10.7270/Q22J6BTX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50283589 (2-Ethyl-4-[2'-methyl-6'-(2H-tetrazol-5-yl)-bipheny...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2c(C)cccc2-c2nnn[nH]2)c2CCCCc2n1 Show InChI InChI=1S/C26H27N5O/c1-3-20-15-24(21-8-4-5-10-23(21)27-20)32-16-18-11-13-19(14-12-18)25-17(2)7-6-9-22(25)26-28-30-31-29-26/h6-7,9,11-15H,3-5,8,10,16H2,1-2H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibition of specific binding of [I-125]AII to Angiotensin II receptor, type 1 in guinea pig adrenal membrane prepa...				Bioorg Med Chem Lett 4: 2615-2620 (1994) Article DOI: 10.1016/S0960-894X(01)80295-X BindingDB Entry DOI: 10.7270/Q22J6BTX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50283592 (2-Ethyl-4-[4'-methyl-2'-(2H-tetrazol-5-yl)-bipheny...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccc(C)cc2-c2nnn[nH]2)c2CCCCc2n1 Show InChI InChI=1S/C26H27N5O/c1-3-20-15-25(22-6-4-5-7-24(22)27-20)32-16-18-9-11-19(12-10-18)21-13-8-17(2)14-23(21)26-28-30-31-29-26/h8-15H,3-7,16H2,1-2H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibition of specific binding of [I-125]AII to Angiotensin II receptor, type 1 in guinea pig adrenal membrane prepa...				Bioorg Med Chem Lett 4: 2615-2620 (1994) Article DOI: 10.1016/S0960-894X(01)80295-X BindingDB Entry DOI: 10.7270/Q22J6BTX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50283595 (2-Ethyl-4-[5'-methoxy-2'-(2H-tetrazol-5-yl)-biphen...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2cc(OC)ccc2-c2nnn[nH]2)c2CCCCc2n1 Show InChI InChI=1S/C26H27N5O2/c1-3-19-14-25(22-6-4-5-7-24(22)27-19)33-16-17-8-10-18(11-9-17)23-15-20(32-2)12-13-21(23)26-28-30-31-29-26/h8-15H,3-7,16H2,1-2H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibition of specific binding of [I-125]AII to Angiotensin II receptor, type 1 in guinea pig adrenal membrane prepa...				Bioorg Med Chem Lett 4: 2615-2620 (1994) Article DOI: 10.1016/S0960-894X(01)80295-X BindingDB Entry DOI: 10.7270/Q22J6BTX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50283588 (4-[4'-Chloro-2'-(2H-tetrazol-5-yl)-biphenyl-4-ylme...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccc(Cl)cc2-c2nnn[nH]2)c2CCCCc2n1 Show InChI InChI=1S/C25H24ClN5O/c1-2-19-14-24(21-5-3-4-6-23(21)27-19)32-15-16-7-9-17(10-8-16)20-12-11-18(26)13-22(20)25-28-30-31-29-25/h7-14H,2-6,15H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibition of specific binding of [I-125]AII to Angiotensin II receptor, type 1 in guinea pig adrenal membrane prepa...				Bioorg Med Chem Lett 4: 2615-2620 (1994) Article DOI: 10.1016/S0960-894X(01)80295-X BindingDB Entry DOI: 10.7270/Q22J6BTX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Cavia porcellus)	BDBM50283594 (2-Ethyl-4-[4'-methoxy-2'-(2H-tetrazol-5-yl)-biphen...) Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccc(OC)cc2-c2nnn[nH]2)c2CCCCc2n1 Show InChI InChI=1S/C26H27N5O2/c1-3-19-14-25(22-6-4-5-7-24(22)27-19)33-16-17-8-10-18(11-9-17)21-13-12-20(32-2)15-23(21)26-28-30-31-29-26/h8-15H,3-7,16H2,1-2H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibition of specific binding of [I-125]AII to Angiotensin II receptor, type 1 in guinea pig adrenal membrane prepa...				Bioorg Med Chem Lett 4: 2615-2620 (1994) Article DOI: 10.1016/S0960-894X(01)80295-X BindingDB Entry DOI: 10.7270/Q22J6BTX
					More data for this Ligand-Target Pair