BDBM50450370 CHEMBL313691

SMILES: [H][C@@]12C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

InChI Key: InChIKey=YCYVRUILLJGBJG-KOJLWRFKSA-N

Data: 2 IC50

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 2 hits for monomerid = 50450370   

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 receptor (AT-1) type-1 (RAT)	BDBM50450370 (CHEMBL313691) Show SMILES [H][C@@]12C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C |c:14| Show InChI InChI=1S/C43H61NO15/c1-21(2)17-26(44-38(52)59-39(6,7)8)31(48)37(51)56-27-19-43(53)35(57-36(50)25-15-13-12-14-16-25)33-41(11,28(47)18-29-42(33,20-54-29)58-24(5)46)34(49)32(55-23(4)45)30(22(27)3)40(43,9)10/h12-16,21,26-29,31-35,47-49,53H,17-20H2,1-11H3,(H,44,52)/t26-,27-,28-,29+,31+,32+,33-,34-,35-,41+,42-,43+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation				Bioorg Med Chem Lett 5: 2665-2670 (1995) Article DOI: 10.1016/0960-894X(95)00477-B BindingDB Entry DOI: 10.7270/Q2ZW1KVW
					More data for this Ligand-Target Pair
Angiotensin II AT2 (RAT)	BDBM50450370 (CHEMBL313691) Show SMILES [H][C@@]12C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C |c:14| Show InChI InChI=1S/C43H61NO15/c1-21(2)17-26(44-38(52)59-39(6,7)8)31(48)37(51)56-27-19-43(53)35(57-36(50)25-15-13-12-14-16-25)33-41(11,28(47)18-29-42(33,20-54-29)58-24(5)46)34(49)32(55-23(4)45)30(22(27)3)40(43,9)10/h12-16,21,26-29,31-35,47-49,53H,17-20H2,1-11H3,(H,44,52)/t26-,27-,28-,29+,31+,32+,33-,34-,35-,41+,42-,43+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined against angiotensin II AT2 receptor in rat adrenal medulla preparation				Bioorg Med Chem Lett 5: 2665-2670 (1995) Article DOI: 10.1016/0960-894X(95)00477-B BindingDB Entry DOI: 10.7270/Q2ZW1KVW
					More data for this Ligand-Target Pair