BDBM50048118 2-({1-[2-{[11-[5-Guanidino-2-(2-methylamino-acetylamino)-pentanoylamino]-8-(4-hydroxy-benzyl)-7,10-dioxo-1,2-dithia-6,9-diaza-cyclotridecane-5-carbonyl]-amino}-3-(3H-imidazol-4-yl)-propionyl]-pyrrolidine-2-carbonyl}-amino)-3-phenyl-propionic acid::CHEMBL264450

SMILES: CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CCSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)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=VUJKZLLQFJUYIG-VZQVFHNMSA-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 = 50048118   

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)	BDBM50048118 (2-({1-[2-{[11-[5-Guanidino-2-(2-methylamino-acetyl...) Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CCSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)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/C46H63N13O10S2/c1-49-25-38(61)53-31(9-5-17-51-46(47)48)39(62)54-32-15-19-70-71-20-16-33(55-42(65)34(56-40(32)63)21-28-11-13-30(60)14-12-28)41(64)57-35(23-29-24-50-26-52-29)44(67)59-18-6-10-37(59)43(66)58-36(45(68)69)22-27-7-3-2-4-8-27/h2-4,7-8,11-14,24,26,31-37,49,60H,5-6,9-10,15-23,25H2,1H3,(H,50,52)(H,53,61)(H,54,62)(H,55,65)(H,56,63)(H,57,64)(H,58,66)(H,68,69)(H4,47,48,51)/t31-,32+,33+,34+,35-,36-,37+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	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))	BDBM50048118 (2-({1-[2-{[11-[5-Guanidino-2-(2-methylamino-acetyl...) Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CCSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)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/C46H63N13O10S2/c1-49-25-38(61)53-31(9-5-17-51-46(47)48)39(62)54-32-15-19-70-71-20-16-33(55-42(65)34(56-40(32)63)21-28-11-13-30(60)14-12-28)41(64)57-35(23-29-24-50-26-52-29)44(67)59-18-6-10-37(59)43(66)58-36(45(68)69)22-27-7-3-2-4-8-27/h2-4,7-8,11-14,24,26,31-37,49,60H,5-6,9-10,15-23,25H2,1H3,(H,50,52)(H,53,61)(H,54,62)(H,55,65)(H,56,63)(H,57,64)(H,58,66)(H,68,69)(H4,47,48,51)/t31-,32+,33+,34+,35-,36-,37+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	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