BDBM50159157 CHEMBL3785563

SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN\C(N)=N\C(=O)NCCCCNC(=O)CCCCC[n+]1cc(ccc1\C=C\c1cc2ccc(cc2oc1=O)N(CC)CC)S([O-])(=O)=O)NC(=O)[C@@H](N)CC(O)=O)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

InChI Key: InChIKey=JLKMNUQSDIVHOA-SVXUCYJOSA-N

Data: 1 KI  1 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 = 50159157   

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 (Homo sapiens (Human))	BDBM50159157 (CHEMBL3785563) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN\C(N)=N\C(=O)NCCCCNC(=O)CCCCC[n+]1cc(ccc1\C=C\c1cc2ccc(cc2oc1=O)N(CC)CC)S([O-])(=O)=O)NC(=O)[C@@H](N)CC(O)=O)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 |r| Show InChI InChI=1S/C81H109N17O19S.3C2HF3O2/c1-7-50(6)70(76(108)91-63(43-55-46-84-48-88-55)77(109)98-39-19-23-65(98)74(106)92-64(78(110)111)41-51-20-12-10-13-21-51)94-73(105)62(40-52-25-32-58(99)33-26-52)90-75(107)69(49(4)5)93-72(104)61(89-71(103)60(82)45-68(101)102)22-18-37-86-80(83)95-81(113)87-36-16-15-35-85-67(100)24-14-11-17-38-97-47-59(118(114,115)116)34-31-56(97)29-28-54-42-53-27-30-57(96(8-2)9-3)44-66(53)117-79(54)112;3*3-2(4,5)1(6)7/h10,12-13,20-21,25-34,42,44,46-50,60-65,69-70H,7-9,11,14-19,22-24,35-41,43,45,82H2,1-6H3,(H15-,83,84,85,86,87,88,89,90,91,92,93,94,95,99,100,101,102,103,104,105,106,107,108,110,111,113,114,115,116);3*(H,6,7)/t50-,60-,61-,62-,63-,64-,65-,69-,70-;;;/m0.../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-Asp-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-ValTyr-Ile-His-Pro-Phe-OH Tris(hydrotrifluoroacetate) from human AT1 re...				J Med Chem 59: 1925-45 (2016) BindingDB Entry DOI: 10.7270/Q2V69MGK
					More data for this Ligand-Target Pair
Angiotensin II receptor (Homo sapiens (Human))	BDBM50159157 (CHEMBL3785563) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN\C(N)=N\C(=O)NCCCCNC(=O)CCCCC[n+]1cc(ccc1\C=C\c1cc2ccc(cc2oc1=O)N(CC)CC)S([O-])(=O)=O)NC(=O)[C@@H](N)CC(O)=O)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 |r| Show InChI InChI=1S/C81H109N17O19S.3C2HF3O2/c1-7-50(6)70(76(108)91-63(43-55-46-84-48-88-55)77(109)98-39-19-23-65(98)74(106)92-64(78(110)111)41-51-20-12-10-13-21-51)94-73(105)62(40-52-25-32-58(99)33-26-52)90-75(107)69(49(4)5)93-72(104)61(89-71(103)60(82)45-68(101)102)22-18-37-86-80(83)95-81(113)87-36-16-15-35-85-67(100)24-14-11-17-38-97-47-59(118(114,115)116)34-31-56(97)29-28-54-42-53-27-30-57(96(8-2)9-3)44-66(53)117-79(54)112;3*3-2(4,5)1(6)7/h10,12-13,20-21,25-34,42,44,46-50,60-65,69-70H,7-9,11,14-19,22-24,35-41,43,45,82H2,1-6H3,(H15-,83,84,85,86,87,88,89,90,91,92,93,94,95,99,100,101,102,103,104,105,106,107,108,110,111,113,114,115,116);3*(H,6,7)/t50-,60-,61-,62-,63-,64-,65-,69-,70-;;;/m0.../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-Asp-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-ValTyr-Ile-His-Pro-Phe-OH Tris(hydrotrifluoroacetate) from human AT1 re...				J Med Chem 59: 1925-45 (2016) BindingDB Entry DOI: 10.7270/Q2V69MGK
					More data for this Ligand-Target Pair