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BDBM85554 Ang(1-7) D-Ala7

SMILES: 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)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(O)=O

InChI Key: InChIKey=GZSZZUXDAPDPOR-NGIFJXEWSA-N

Data: 2 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 2 hits for monomerid = 85554   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Angiotensin IV


(BOVINE)
BDBM85554
PNG
(Ang(1-7) D-Ala7)
Show SMILES 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)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(O)=O |wU:47.47,8.17,20.21,57.59,wD:4.4,24.32,35.36,2.2,(13.52,3.66,;12.19,2.89,;12.19,1.35,;13.52,.58,;10.85,.58,;10.85,-.96,;12.19,-1.73,;13.52,-.96,;12.19,-3.27,;10.85,-4.04,;10.85,-5.58,;9.52,-6.35,;9.52,-7.89,;10.85,-8.66,;10.85,-10.2,;12.19,-7.89,;12.19,-6.35,;13.52,-4.04,;14.85,-3.27,;14.85,-1.73,;16.19,-4.04,;17.52,-3.27,;18.85,-4.04,;18.85,-5.58,;20.19,-3.27,;20.19,-1.73,;21.52,-.96,;21.52,.58,;22.86,1.35,;22.86,2.89,;24.19,3.66,;21.52,3.66,;21.52,-4.04,;22.86,-3.27,;22.86,-1.73,;24.19,-4.04,;24.19,-5.58,;25.52,-3.27,;26.86,-4.04,;28.19,-3.27,;26.86,-5.58,;16.19,-5.58,;17.52,-6.35,;14.85,-6.35,;9.52,1.35,;8.18,.58,;9.52,2.89,;8.18,3.66,;6.85,2.89,;5.52,3.66,;5.36,5.19,;3.85,5.51,;3.08,4.18,;4.11,3.03,;8.18,5.2,;6.85,5.97,;9.52,5.97,;9.68,7.5,;11.17,7.9,;8.53,8.53,;8.86,10.04,;7.07,8.06,)|
Show InChI InChI=1S/C39H60N12O11/c1-6-20(4)31(37(60)49-28(15-23-17-43-18-45-23)34(57)46-21(5)38(61)62)51-35(58)27(14-22-9-11-24(52)12-10-22)48-36(59)30(19(2)3)50-33(56)26(8-7-13-44-39(41)42)47-32(55)25(40)16-29(53)54/h9-12,17-21,25-28,30-31,52H,6-8,13-16,40H2,1-5H3,(H,43,45)(H,46,57)(H,47,55)(H,48,59)(H,49,60)(H,50,56)(H,51,58)(H,53,54)(H,61,62)(H4,41,42,44)/t20-,21+,25-,26-,27-,28-,30-,31-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85554
PNG
(Ang(1-7) D-Ala7)
Show SMILES 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)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(O)=O |wU:47.47,8.17,20.21,57.59,wD:4.4,24.32,35.36,2.2,(13.52,3.66,;12.19,2.89,;12.19,1.35,;13.52,.58,;10.85,.58,;10.85,-.96,;12.19,-1.73,;13.52,-.96,;12.19,-3.27,;10.85,-4.04,;10.85,-5.58,;9.52,-6.35,;9.52,-7.89,;10.85,-8.66,;10.85,-10.2,;12.19,-7.89,;12.19,-6.35,;13.52,-4.04,;14.85,-3.27,;14.85,-1.73,;16.19,-4.04,;17.52,-3.27,;18.85,-4.04,;18.85,-5.58,;20.19,-3.27,;20.19,-1.73,;21.52,-.96,;21.52,.58,;22.86,1.35,;22.86,2.89,;24.19,3.66,;21.52,3.66,;21.52,-4.04,;22.86,-3.27,;22.86,-1.73,;24.19,-4.04,;24.19,-5.58,;25.52,-3.27,;26.86,-4.04,;28.19,-3.27,;26.86,-5.58,;16.19,-5.58,;17.52,-6.35,;14.85,-6.35,;9.52,1.35,;8.18,.58,;9.52,2.89,;8.18,3.66,;6.85,2.89,;5.52,3.66,;5.36,5.19,;3.85,5.51,;3.08,4.18,;4.11,3.03,;8.18,5.2,;6.85,5.97,;9.52,5.97,;9.68,7.5,;11.17,7.9,;8.53,8.53,;8.86,10.04,;7.07,8.06,)|
Show InChI InChI=1S/C39H60N12O11/c1-6-20(4)31(37(60)49-28(15-23-17-43-18-45-23)34(57)46-21(5)38(61)62)51-35(58)27(14-22-9-11-24(52)12-10-22)48-36(59)30(19(2)3)50-33(56)26(8-7-13-44-39(41)42)47-32(55)25(40)16-29(53)54/h9-12,17-21,25-28,30-31,52H,6-8,13-16,40H2,1-5H3,(H,43,45)(H,46,57)(H,47,55)(H,48,59)(H,49,60)(H,50,56)(H,51,58)(H,53,54)(H,61,62)(H4,41,42,44)/t20-,21+,25-,26-,27-,28-,30-,31-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair