BDBM50048120 CHEMBL408886::c[Sar1-Arg2-MPc3-Tyr4-Hcy5-His6-Pro7-Phe8]

SMILES: CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSS2)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=HTVRDIRGEIESHE-QSVFAHTRSA-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 = 50048120   

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)	BDBM50048120 (CHEMBL408886 | c[Sar1-Arg2-MPc3-Tyr4-Hcy5-His6-Pro...) Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSS2)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/C47H63N13O10S2/c1-50-24-39(62)54-33(9-5-16-52-47(48)49)44(67)60-25-31-22-38(60)43(66)56-34(19-28-11-13-30(61)14-12-28)41(64)55-32(15-18-71-72-31)40(63)57-35(21-29-23-51-26-53-29)45(68)59-17-6-10-37(59)42(65)58-36(46(69)70)20-27-7-3-2-4-8-27/h2-4,7-8,11-14,23,26,31-38,50,61H,5-6,9-10,15-22,24-25H2,1H3,(H,51,53)(H,54,62)(H,55,64)(H,56,66)(H,57,63)(H,58,65)(H,69,70)(H4,48,49,52)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver				J Med Chem 36: 1902-13 (1993) BindingDB Entry DOI: 10.7270/Q2N58KF4
					More data for this Ligand-Target Pair
Angiotensin II receptor (Homo sapiens (Human))	BDBM50048120 (CHEMBL408886 | c[Sar1-Arg2-MPc3-Tyr4-Hcy5-His6-Pro...) Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSS2)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/C47H63N13O10S2/c1-50-24-39(62)54-33(9-5-16-52-47(48)49)44(67)60-25-31-22-38(60)43(66)56-34(19-28-11-13-30(61)14-12-28)41(64)55-32(15-18-71-72-31)40(63)57-35(21-29-23-51-26-53-29)45(68)59-17-6-10-37(59)42(65)58-36(46(69)70)20-27-7-3-2-4-8-27/h2-4,7-8,11-14,23,26,31-38,50,61H,5-6,9-10,15-22,24-25H2,1H3,(H,51,53)(H,54,62)(H,55,64)(H,56,66)(H,57,63)(H,58,65)(H,69,70)(H4,48,49,52)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus.				J Med Chem 36: 1902-13 (1993) BindingDB Entry DOI: 10.7270/Q2N58KF4
					More data for this Ligand-Target Pair