BDBM50049205 CHEMBL48602::RWJ-46458::[4-Ethyl-4-methyl-6-oxo-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-piperidin-(2E)-ylidene]-acetic acid ethyl ester

SMILES: CCOC(=O)\C=C1/CC(C)(CC)CC(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

InChI Key: InChIKey=JBEUFWOCGLXNCS-XSFVSMFZSA-N

Data: 3 IC50  3 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50049205   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50049205 (CHEMBL48602 | RWJ-46458 | [4-Ethyl-4-methyl-6-oxo-...) Show SMILES CCOC(=O)\C=C1/CC(C)(CC)CC(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C26H29N5O3/c1-4-26(3)15-20(14-24(33)34-5-2)31(23(32)16-26)17-18-10-12-19(13-11-18)21-8-6-7-9-22(21)25-27-29-30-28-25/h6-14H,4-5,15-17H2,1-3H3,(H,27,28,29,30)/b20-14+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Antagonist activity at angiotensin AT1 receptor in rabbit aorta				Bioorg Med Chem 18: 8418-56 (2010) Article DOI: 10.1016/j.bmc.2010.10.043 BindingDB Entry DOI: 10.7270/Q2H70G3T
					More data for this Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50049205 (CHEMBL48602 | RWJ-46458 | [4-Ethyl-4-methyl-6-oxo-...) Show SMILES CCOC(=O)\C=C1/CC(C)(CC)CC(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C26H29N5O3/c1-4-26(3)15-20(14-24(33)34-5-2)31(23(32)16-26)17-18-10-12-19(13-11-18)21-8-6-7-9-22(21)25-27-29-30-28-25/h6-14H,4-5,15-17H2,1-3H3,(H,27,28,29,30)/b20-14+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings				Bioorg Med Chem Lett 4: 87-92 (1994) Article DOI: 10.1016/S0960-894X(01)81127-6 BindingDB Entry DOI: 10.7270/Q2BC40QF
					More data for this Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50049205 (CHEMBL48602 | RWJ-46458 | [4-Ethyl-4-methyl-6-oxo-...) Show SMILES CCOC(=O)\C=C1/CC(C)(CC)CC(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C26H29N5O3/c1-4-26(3)15-20(14-24(33)34-5-2)31(23(32)16-26)17-18-10-12-19(13-11-18)21-8-6-7-9-22(21)25-27-29-30-28-25/h6-14H,4-5,15-17H2,1-3H3,(H,27,28,29,30)/b20-14+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings				Bioorg Med Chem Lett 4: 87-92 (1994) Article DOI: 10.1016/S0960-894X(01)81127-6 BindingDB Entry DOI: 10.7270/Q2BC40QF
					More data for this Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor (Bos taurus)	BDBM50049205 (CHEMBL48602 | RWJ-46458 | [4-Ethyl-4-methyl-6-oxo-...) Show SMILES CCOC(=O)\C=C1/CC(C)(CC)CC(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C26H29N5O3/c1-4-26(3)15-20(14-24(33)34-5-2)31(23(32)16-26)17-18-10-12-19(13-11-18)21-8-6-7-9-22(21)25-27-29-30-28-25/h6-14H,4-5,15-17H2,1-3H3,(H,27,28,29,30)/b20-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Binding affinity to angiotensin AT1 receptor in bovine adrenal cortex membranes				Bioorg Med Chem 18: 8418-56 (2010) Article DOI: 10.1016/j.bmc.2010.10.043 BindingDB Entry DOI: 10.7270/Q2H70G3T
					More data for this Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor (Bos taurus)	BDBM50049205 (CHEMBL48602 | RWJ-46458 | [4-Ethyl-4-methyl-6-oxo-...) Show SMILES CCOC(=O)\C=C1/CC(C)(CC)CC(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C26H29N5O3/c1-4-26(3)15-20(14-24(33)34-5-2)31(23(32)16-26)17-18-10-12-19(13-11-18)21-8-6-7-9-22(21)25-27-29-30-28-25/h6-14H,4-5,15-17H2,1-3H3,(H,27,28,29,30)/b20-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibitory activity was evaluated against Angiotensin II receptor, type 1 in bovine adrenal membrane				J Med Chem 39: 625-56 (1996) Article DOI: 10.1021/jm9504722 BindingDB Entry DOI: 10.7270/Q29P3299
					More data for this Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor (Bos taurus)	BDBM50049205 (CHEMBL48602 | RWJ-46458 | [4-Ethyl-4-methyl-6-oxo-...) Show SMILES CCOC(=O)\C=C1/CC(C)(CC)CC(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C26H29N5O3/c1-4-26(3)15-20(14-24(33)34-5-2)31(23(32)16-26)17-18-10-12-19(13-11-18)21-8-6-7-9-22(21)25-27-29-30-28-25/h6-14H,4-5,15-17H2,1-3H3,(H,27,28,29,30)/b20-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes				Bioorg Med Chem Lett 2: 1775-1779 (1992) Article DOI: 10.1016/S0960-894X(00)80474-6 BindingDB Entry DOI: 10.7270/Q2NP24B9
					More data for this Ligand-Target Pair