BDBM50514581 CHEMBL1885579

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccnc1)C(O)=O

InChI Key: InChIKey=UXGNARZDONUMMK-LRMQDCNJSA-N

Data: 1 KI

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 1 hit for monomerid = 50514581   

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)	BDBM50514581 (CHEMBL1885579) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccnc1)C(O)=O |wD:15.23,4.4,25.54,55.67,33.42,8.7,2.2,(24.22,-16.21,;22.68,-16.15,;21.86,-17.46,;22.57,-18.82,;20.32,-17.4,;19.5,-18.7,;17.96,-18.64,;17.24,-17.28,;17.14,-19.94,;17.71,-21.37,;16.52,-22.36,;15.22,-21.54,;15.6,-20.04,;14.61,-18.86,;15.15,-17.42,;13.1,-19.12,;12.14,-20.33,;12.72,-21.76,;14.21,-22.14,;14.31,-23.68,;12.88,-24.25,;11.89,-23.07,;12.52,-17.69,;11,-17.47,;10.05,-18.68,;10.43,-16.04,;8.9,-15.82,;8.33,-14.39,;6.81,-14.17,;6.24,-12.74,;4.71,-12.52,;4.14,-11.09,;5.09,-9.88,;2.62,-10.87,;1.66,-12.08,;.14,-11.86,;-.81,-13.07,;-2.34,-12.85,;-3.29,-14.06,;-2.72,-15.49,;-4.81,-13.84,;2.05,-9.44,;.52,-9.22,;-.43,-10.43,;-.05,-7.79,;-1.57,-7.57,;-2.15,-6.14,;-3.67,-5.92,;-4.24,-4.49,;-3.29,-3.28,;-1.76,-3.5,;-1.19,-4.93,;11.38,-14.83,;12.91,-15.05,;13.48,-16.48,;13.86,-13.84,;13.29,-12.41,;11.76,-12.19,;10.81,-13.4,;9.29,-13.18,;8.71,-11.75,;7.19,-11.53,;9.67,-10.54,;11.19,-10.76,;15.38,-14.06,;16.34,-12.85,;15.76,-11.42,;17.86,-13.07,;18.81,-11.86,;20.34,-12.08,;20.91,-13.51,;19.96,-14.72,;18.43,-14.5,;19.6,-16.03,;20.62,-14.82,;18.06,-15.97,)| Show InChI InChI=1S/C52H69N13O11/c1-3-32(2)43(50(73)74)64-48(71)42-17-11-25-65(42)49(72)41(27-36-29-56-31-59-36)62-46(69)39(60-47(70)40(26-33-18-20-37(66)21-19-33)61-44(67)35-14-9-22-55-28-35)15-7-8-23-57-45(68)38(16-10-24-58-51(53)54)63-52(75)76-30-34-12-5-4-6-13-34/h4-6,9,12-14,18-22,28-29,31-32,38-43,66H,3,7-8,10-11,15-17,23-27,30H2,1-2H3,(H,56,59)(H,57,68)(H,60,70)(H,61,67)(H,62,69)(H,63,75)(H,64,71)(H,73,74)(H4,53,54,58)/t32-,38-,39-,40-,41-,42-,43-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL) Curated by ChEMBL					Assay Description Displacement of [125I]Ang II from AT1 receptor in rat SMC membranes incubated for 60 mins by gamma counting method				J Med Chem 63: 1978-1995 (2020) Article DOI: 10.1021/acs.jmedchem.9b01780
					More data for this Ligand-Target Pair