Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor' and Ligand = 'BDBM50408263'   

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 (Bos taurus)	BDBM50408263 (CHEMBL411624) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C48H68N12O11/c1-27(2)39(58-41(64)33(54-38(63)18-21-61)12-8-19-52-48(49)50)44(67)55-34(22-30-14-16-32(62)17-15-30)42(65)59-40(28(3)4)45(68)56-35(24-31-25-51-26-53-31)46(69)60-20-9-13-37(60)43(66)57-36(47(70)71)23-29-10-6-5-7-11-29/h5-7,10-11,14-17,25-28,33-37,39-40,61-62H,8-9,12-13,18-24H2,1-4H3,(H,51,53)(H,54,63)(H,55,67)(H,56,68)(H,57,66)(H,58,64)(H,59,65)(H,70,71)(H4,49,50,52)/t33-,34-,35-,36+,37-,39-,40-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.46E+3	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Dissociation constant for [125 I] Ang binding to type 1 Angiotensin II receptorof bovine adrenocortical membranes				J Med Chem 40: 3271-9 (1997) Article DOI: 10.1021/jm9608669 BindingDB Entry DOI: 10.7270/Q2GQ6ZZM
					More data for this Ligand-Target Pair