BDBM85557 Ang III::CAS_12687-51-3

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)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=QMMRCKSBBNJCMR-KMZPNFOHSA-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 = 85557   

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)	BDBM85557 (Ang III | CAS_12687-51-3) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)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:39.39,8.17,24.25,52.55,56.58,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,;-12.26,-7.97,;-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,;-6.94,-6.35,;-5.41,-6.27,;-7.65,-7.73,;-.37,.69,;-1.2,1.95,;1.17,.78,;1.9,2.15,;1.06,3.43,;1.27,4.98,;2.66,5.69,;2.37,7.22,;.85,7.44,;.16,6.04,;3.43,2.23,;4.29,.93,;4.14,3.61,;3.31,4.85,;4.43,5.96,;5.8,5.15,;5.62,3.69,;6.71,2.6,;8.11,3.15,;6.47,1.08,;7.67,.11,;9.08,.65,;10.29,-.31,;11.74,.25,;12.94,-.72,;12.71,-2.26,;11.27,-2.8,;10.06,-1.84,;7.44,-1.42,;8.64,-2.4,;6.01,-1.98,)| Show InChI InChI=1S/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	36.8	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)	BDBM85557 (Ang III | CAS_12687-51-3) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)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:39.39,8.17,24.25,52.55,56.58,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,;-12.26,-7.97,;-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,;-6.94,-6.35,;-5.41,-6.27,;-7.65,-7.73,;-.37,.69,;-1.2,1.95,;1.17,.78,;1.9,2.15,;1.06,3.43,;1.27,4.98,;2.66,5.69,;2.37,7.22,;.85,7.44,;.16,6.04,;3.43,2.23,;4.29,.93,;4.14,3.61,;3.31,4.85,;4.43,5.96,;5.8,5.15,;5.62,3.69,;6.71,2.6,;8.11,3.15,;6.47,1.08,;7.67,.11,;9.08,.65,;10.29,-.31,;11.74,.25,;12.94,-.72,;12.71,-2.26,;11.27,-2.8,;10.06,-1.84,;7.44,-1.42,;8.64,-2.4,;6.01,-1.98,)| Show InChI InChI=1S/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	63.2	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