BDBM50048128 Asp-Arg-Val-Tyr-Val-His-Pro-Phe (Angiotensin II)::AspArgValTyrValHisProPh::CHEMBL216830::[Asp1-Arg2-Val3-Tyr4-Val5-His6-Pro7-Phe8](angiotensin II)

SMILES: CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)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

InChI Key: InChIKey=NLPUTBDZNNXHCO-CGHBYZBKSA-N

Data: 1 KI  1 Kd

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 = 50048128   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50048128 (Asp-Arg-Val-Tyr-Val-His-Pro-Phe (Angiotensin II) |...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)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 |r,wU:18.18,3.3,46.46,63.65,wD:7.14,27.26,39.39,59.62,(35.46,.19,;34.15,-.62,;32.79,.12,;34.19,-2.16,;32.87,-2.96,;31.52,-2.23,;31.48,-.69,;30.21,-3.03,;30.25,-4.57,;31.6,-5.31,;31.64,-6.85,;33,-7.58,;33.04,-9.12,;31.73,-9.93,;34.39,-9.85,;28.85,-2.3,;27.54,-3.1,;27.58,-4.64,;26.19,-2.37,;24.87,-3.17,;26.15,-.84,;27.46,-.03,;28.81,-.76,;27.42,1.51,;35.54,-2.89,;35.58,-4.43,;36.86,-2.08,;38.21,-2.82,;38.25,-4.36,;39.6,-5.1,;40.9,-4.3,;42.26,-5.02,;42.3,-6.56,;43.66,-7.3,;40.99,-7.36,;39.64,-6.64,;39.52,-2.02,;39.48,-.47,;40.88,-2.75,;42.19,-1.94,;43.54,-2.68,;44.85,-1.88,;43.58,-4.21,;42.14,-.41,;40.79,.33,;43.46,.4,;43.42,1.94,;42.06,2.68,;42.02,4.22,;40.76,5.08,;41.19,6.56,;42.73,6.61,;43.25,5.16,;44.73,2.75,;44.69,4.29,;46.08,2.01,;46.29,.48,;47.8,.21,;48.53,1.56,;47.47,2.67,;47.75,4.19,;46.59,5.19,;49.23,4.63,;49.59,6.13,;48.47,7.18,;48.83,8.69,;50.3,9.14,;50.67,10.63,;49.55,11.68,;48.07,11.26,;47.71,9.75,;51.07,6.57,;51.42,8.07,;52.19,5.51,)| Show InChI InChI=1S/C49H69N13O12/c1-26(2)39(60-42(67)33(12-8-18-54-49(51)52)56-41(66)32(50)23-38(64)65)45(70)57-34(20-29-14-16-31(63)17-15-29)43(68)61-40(27(3)4)46(71)58-35(22-30-24-53-25-55-30)47(72)62-19-9-13-37(62)44(69)59-36(48(73)74)21-28-10-6-5-7-11-28/h5-7,10-11,14-17,24-27,32-37,39-40,63H,8-9,12-13,18-23,50H2,1-4H3,(H,53,55)(H,56,66)(H,57,70)(H,58,71)(H,59,69)(H,60,67)(H,61,68)(H,64,65)(H,73,74)(H4,51,52,54)/t32-,33-,34-,35-,36-,37-,39-,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of p60 src				J Nat Prod 55: 1529-1560 (1992) Article DOI: 10.1021/np50089a001 BindingDB Entry DOI: 10.7270/Q2J966CC
					More data for this Ligand-Target Pair
Angiotensin II receptor (Homo sapiens (Human))	BDBM50048128 (Asp-Arg-Val-Tyr-Val-His-Pro-Phe (Angiotensin II) |...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)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 |r,wU:18.18,3.3,46.46,63.65,wD:7.14,27.26,39.39,59.62,(35.46,.19,;34.15,-.62,;32.79,.12,;34.19,-2.16,;32.87,-2.96,;31.52,-2.23,;31.48,-.69,;30.21,-3.03,;30.25,-4.57,;31.6,-5.31,;31.64,-6.85,;33,-7.58,;33.04,-9.12,;31.73,-9.93,;34.39,-9.85,;28.85,-2.3,;27.54,-3.1,;27.58,-4.64,;26.19,-2.37,;24.87,-3.17,;26.15,-.84,;27.46,-.03,;28.81,-.76,;27.42,1.51,;35.54,-2.89,;35.58,-4.43,;36.86,-2.08,;38.21,-2.82,;38.25,-4.36,;39.6,-5.1,;40.9,-4.3,;42.26,-5.02,;42.3,-6.56,;43.66,-7.3,;40.99,-7.36,;39.64,-6.64,;39.52,-2.02,;39.48,-.47,;40.88,-2.75,;42.19,-1.94,;43.54,-2.68,;44.85,-1.88,;43.58,-4.21,;42.14,-.41,;40.79,.33,;43.46,.4,;43.42,1.94,;42.06,2.68,;42.02,4.22,;40.76,5.08,;41.19,6.56,;42.73,6.61,;43.25,5.16,;44.73,2.75,;44.69,4.29,;46.08,2.01,;46.29,.48,;47.8,.21,;48.53,1.56,;47.47,2.67,;47.75,4.19,;46.59,5.19,;49.23,4.63,;49.59,6.13,;48.47,7.18,;48.83,8.69,;50.3,9.14,;50.67,10.63,;49.55,11.68,;48.07,11.26,;47.71,9.75,;51.07,6.57,;51.42,8.07,;52.19,5.51,)| Show InChI InChI=1S/C49H69N13O12/c1-26(2)39(60-42(67)33(12-8-18-54-49(51)52)56-41(66)32(50)23-38(64)65)45(70)57-34(20-29-14-16-31(63)17-15-29)43(68)61-40(27(3)4)46(71)58-35(22-30-24-53-25-55-30)47(72)62-19-9-13-37(62)44(69)59-36(48(73)74)21-28-10-6-5-7-11-28/h5-7,10-11,14-17,24-27,32-37,39-40,63H,8-9,12-13,18-23,50H2,1-4H3,(H,53,55)(H,56,66)(H,57,70)(H,58,71)(H,59,69)(H,60,67)(H,61,68)(H,64,65)(H,73,74)(H4,51,52,54)/t32-,33-,34-,35-,36-,37-,39-,40-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Binding affinity to human AT1 receptor				J Med Chem 61: 9841-9878 (2018) Article DOI: 10.1021/acs.jmedchem.8b00435
					More data for this Ligand-Target Pair