BDBM50370576 CHEMBL1791309

SMILES: CC[C@@H](C)[C@H](N1Cc2cccc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)c2N[C@@H](Cc2ccc(O)cc2)C1=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=KTUBTCMWLDTEHO-AVXDUAIISA-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 = 50370576   

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 (Homo sapiens (Human))	BDBM50370576 (CHEMBL1791309) Show SMILES CC[C@@H](C)[C@H](N1Cc2cccc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)c2N[C@@H](Cc2ccc(O)cc2)C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:61.66,48.50,15.22,34.35,2.2,wD:4.4,65.69,26.26,(17.04,-11.58,;17.04,-10.04,;15.66,-9.27,;14.31,-10.04,;15.66,-7.73,;14.31,-6.96,;13.45,-8.27,;11.88,-8.43,;11.49,-9.89,;9.96,-10.28,;8.85,-9.2,;9.27,-7.73,;7.91,-6.94,;6.57,-7.6,;6.59,-8.95,;5.22,-6.94,;5.22,-5.59,;3.89,-4.92,;3.91,-3.59,;2.54,-2.91,;2.56,-1.57,;1.23,-.89,;3.92,-.92,;3.91,-7.62,;2.54,-6.94,;2.54,-5.61,;1.2,-7.62,;-.15,-6.96,;1.2,-8.95,;-.12,-9.64,;-1.47,-8.98,;-.11,-10.97,;10.79,-7.33,;10.97,-5.81,;12.32,-5.01,;12.16,-3.47,;12.94,-2.15,;14.52,-2.12,;15.29,-.81,;14.5,.52,;15.27,1.86,;12.91,.49,;12.14,-.84,;13.8,-5.53,;14.93,-4.46,;17.04,-6.96,;17.04,-5.43,;18.42,-7.73,;19.82,-7.11,;19.89,-5.56,;20.67,-4.25,;22.22,-4.06,;22.54,-2.56,;21.18,-1.8,;20.01,-2.83,;21.14,-7.82,;21.05,-9.2,;22.54,-7.1,;22.04,-5.64,;23.33,-4.73,;24.61,-5.64,;24.12,-7.1,;25.48,-7.86,;25.48,-9.4,;26.86,-7.11,;28.17,-7.85,;28.07,-9.22,;29.42,-9.91,;29.32,-11.29,;30.62,-12.02,;32.03,-11.39,;32.13,-10.05,;30.8,-9.29,;29.59,-7.23,;30.9,-7.96,;29.66,-5.86,)| Show InChI InChI=1S/C52H67N13O11/c1-3-29(2)44(48(72)62-39(24-33-26-56-28-58-33)49(73)64-21-9-15-41(64)47(71)63-40(51(75)76)23-30-10-5-4-6-11-30)65-27-32-12-7-13-36(43(32)59-38(50(65)74)22-31-16-18-34(66)19-17-31)60-46(70)37(14-8-20-57-52(54)55)61-45(69)35(53)25-42(67)68/h4-7,10-13,16-19,26,28-29,35,37-41,44,59,66H,3,8-9,14-15,20-25,27,53H2,1-2H3,(H,56,58)(H,60,70)(H,61,69)(H,62,72)(H,63,71)(H,67,68)(H,75,76)(H4,54,55,57)/t29-,35+,37+,38+,39+,40+,41+,44+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [125I]-Ang II from angiotensin II receptor type 2 in pig uterus myometrium				J Med Chem 48: 4009-24 (2005) Article DOI: 10.1021/jm0491492 BindingDB Entry DOI: 10.7270/Q2BR8SZD
					More data for this Ligand-Target Pair
Angiotensin II receptor (Homo sapiens (Human))	BDBM50370576 (CHEMBL1791309) Show SMILES CC[C@@H](C)[C@H](N1Cc2cccc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)c2N[C@@H](Cc2ccc(O)cc2)C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:61.66,48.50,15.22,34.35,2.2,wD:4.4,65.69,26.26,(17.04,-11.58,;17.04,-10.04,;15.66,-9.27,;14.31,-10.04,;15.66,-7.73,;14.31,-6.96,;13.45,-8.27,;11.88,-8.43,;11.49,-9.89,;9.96,-10.28,;8.85,-9.2,;9.27,-7.73,;7.91,-6.94,;6.57,-7.6,;6.59,-8.95,;5.22,-6.94,;5.22,-5.59,;3.89,-4.92,;3.91,-3.59,;2.54,-2.91,;2.56,-1.57,;1.23,-.89,;3.92,-.92,;3.91,-7.62,;2.54,-6.94,;2.54,-5.61,;1.2,-7.62,;-.15,-6.96,;1.2,-8.95,;-.12,-9.64,;-1.47,-8.98,;-.11,-10.97,;10.79,-7.33,;10.97,-5.81,;12.32,-5.01,;12.16,-3.47,;12.94,-2.15,;14.52,-2.12,;15.29,-.81,;14.5,.52,;15.27,1.86,;12.91,.49,;12.14,-.84,;13.8,-5.53,;14.93,-4.46,;17.04,-6.96,;17.04,-5.43,;18.42,-7.73,;19.82,-7.11,;19.89,-5.56,;20.67,-4.25,;22.22,-4.06,;22.54,-2.56,;21.18,-1.8,;20.01,-2.83,;21.14,-7.82,;21.05,-9.2,;22.54,-7.1,;22.04,-5.64,;23.33,-4.73,;24.61,-5.64,;24.12,-7.1,;25.48,-7.86,;25.48,-9.4,;26.86,-7.11,;28.17,-7.85,;28.07,-9.22,;29.42,-9.91,;29.32,-11.29,;30.62,-12.02,;32.03,-11.39,;32.13,-10.05,;30.8,-9.29,;29.59,-7.23,;30.9,-7.96,;29.66,-5.86,)| Show InChI InChI=1S/C52H67N13O11/c1-3-29(2)44(48(72)62-39(24-33-26-56-28-58-33)49(73)64-21-9-15-41(64)47(71)63-40(51(75)76)23-30-10-5-4-6-11-30)65-27-32-12-7-13-36(43(32)59-38(50(65)74)22-31-16-18-34(66)19-17-31)60-46(70)37(14-8-20-57-52(54)55)61-45(69)35(53)25-42(67)68/h4-7,10-13,16-19,26,28-29,35,37-41,44,59,66H,3,8-9,14-15,20-25,27,53H2,1-2H3,(H,56,58)(H,60,70)(H,61,69)(H,62,72)(H,63,71)(H,67,68)(H,75,76)(H4,54,55,57)/t29-,35+,37+,38+,39+,40+,41+,44+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [125I]-Ang II from angiotensin II receptor type 2 in pig uterus myometrium				J Med Chem 48: 4009-24 (2005) Article DOI: 10.1021/jm0491492 BindingDB Entry DOI: 10.7270/Q2BR8SZD
					More data for this Ligand-Target Pair