BDBM85559 Ang II Thr8, Sar1

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)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)O)C(O)=O

InChI Key: InChIKey=VUFFRQVVDOLRNK-RANSMQEUSA-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 = 85559   

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 IV (BOVINE)	BDBM85559 (Ang II Thr8, Sar1) 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)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)O)C(O)=O |r,wU:44.44,8.17,24.32,57.60,61.63,wD:4.4,2.2,20.21,(2.14,-3.15,;1.3,-1.86,;-.2,-1.94,;-.91,-3.35,;-1.04,-.64,;-2.62,-.74,;-3.32,-2.12,;-2.48,-3.41,;-4.85,-2.21,;-5.68,-.94,;-5,.45,;-5.83,1.73,;-5.14,3.11,;-3.59,3.19,;-2.92,4.55,;-2.77,1.91,;-3.44,.52,;-5.56,-3.58,;-7.1,-3.68,;-7.93,-2.4,;-7.79,-5.05,;-9.33,-5.14,;-10.03,-6.51,;-9.18,-7.82,;-11.56,-6.61,;-12.41,-5.33,;-11.71,-3.93,;-12.55,-2.66,;-11.85,-1.26,;-12.71,.05,;-14.25,-.05,;-11.99,1.42,;-12.26,-7.97,;-11.17,-9.06,;-9.68,-8.66,;-11.57,-10.55,;-10.48,-11.63,;-10.88,-13.12,;-6.94,-6.35,;-5.41,-6.27,;-7.65,-7.74,;-.37,.69,;-1.2,1.95,;1.18,.78,;1.9,2.15,;1.06,3.43,;1.27,4.98,;2.66,5.69,;2.37,7.22,;.85,7.45,;.16,6.04,;3.43,2.23,;4.29,.93,;4.14,3.61,;3.32,4.85,;4.43,5.96,;5.8,5.15,;5.62,3.69,;6.71,2.6,;8.11,3.15,;6.47,1.08,;7.68,.11,;9.08,.65,;9.48,2.14,;10.3,-.31,;7.44,-1.42,;8.64,-2.4,;6.01,-1.98,)| Show InChI InChI=1S/C44H69N13O11/c1-7-24(4)35(41(65)53-31(19-27-20-48-22-50-27)42(66)57-17-9-11-32(57)39(63)56-36(25(5)58)43(67)68)55-38(62)30(18-26-12-14-28(59)15-13-26)52-40(64)34(23(2)3)54-37(61)29(51-33(60)21-47-6)10-8-16-49-44(45)46/h12-15,20,22-25,29-32,34-36,47,58-59H,7-11,16-19,21H2,1-6H3,(H,48,50)(H,51,60)(H,52,64)(H,53,65)(H,54,61)(H,55,62)(H,56,63)(H,67,68)(H4,45,46,49)/t24-,25?,29-,30-,31-,32-,34-,35-,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM85559 (Ang II Thr8, Sar1) 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)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)O)C(O)=O |r,wU:44.44,8.17,24.32,57.60,61.63,wD:4.4,2.2,20.21,(2.14,-3.15,;1.3,-1.86,;-.2,-1.94,;-.91,-3.35,;-1.04,-.64,;-2.62,-.74,;-3.32,-2.12,;-2.48,-3.41,;-4.85,-2.21,;-5.68,-.94,;-5,.45,;-5.83,1.73,;-5.14,3.11,;-3.59,3.19,;-2.92,4.55,;-2.77,1.91,;-3.44,.52,;-5.56,-3.58,;-7.1,-3.68,;-7.93,-2.4,;-7.79,-5.05,;-9.33,-5.14,;-10.03,-6.51,;-9.18,-7.82,;-11.56,-6.61,;-12.41,-5.33,;-11.71,-3.93,;-12.55,-2.66,;-11.85,-1.26,;-12.71,.05,;-14.25,-.05,;-11.99,1.42,;-12.26,-7.97,;-11.17,-9.06,;-9.68,-8.66,;-11.57,-10.55,;-10.48,-11.63,;-10.88,-13.12,;-6.94,-6.35,;-5.41,-6.27,;-7.65,-7.74,;-.37,.69,;-1.2,1.95,;1.18,.78,;1.9,2.15,;1.06,3.43,;1.27,4.98,;2.66,5.69,;2.37,7.22,;.85,7.45,;.16,6.04,;3.43,2.23,;4.29,.93,;4.14,3.61,;3.32,4.85,;4.43,5.96,;5.8,5.15,;5.62,3.69,;6.71,2.6,;8.11,3.15,;6.47,1.08,;7.68,.11,;9.08,.65,;9.48,2.14,;10.3,-.31,;7.44,-1.42,;8.64,-2.4,;6.01,-1.98,)| Show InChI InChI=1S/C44H69N13O11/c1-7-24(4)35(41(65)53-31(19-27-20-48-22-50-27)42(66)57-17-9-11-32(57)39(63)56-36(25(5)58)43(67)68)55-38(62)30(18-26-12-14-28(59)15-13-26)52-40(64)34(23(2)3)54-37(61)29(51-33(60)21-47-6)10-8-16-49-44(45)46/h12-15,20,22-25,29-32,34-36,47,58-59H,7-11,16-19,21H2,1-6H3,(H,48,50)(H,51,60)(H,52,64)(H,53,65)(H,54,61)(H,55,62)(H,56,63)(H,67,68)(H4,45,46,49)/t24-,25?,29-,30-,31-,32-,34-,35-,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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