BDBM50009573 CHEMBL3234463

SMILES: CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCC[C@H](NC(=O)Cc3csc(=N)n3C)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[nH+]3)C(=O)NC3CCN(C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC

InChI Key: InChIKey=DNZNOYVGGKZKRX-WLTNIFSVSA-O

Data: 1 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 1 hit for monomerid = 50009573   

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
Apelin (Homo sapiens (Human))	BDBM50009573 (CHEMBL3234463) Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCC[C@H](NC(=O)Cc3csc(=N)n3C)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[nH+]3)C(=O)NC3CCN(C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:43.45,wD:28.28,(4.19,-11.76,;4.19,-10.23,;5.51,-9.44,;5.5,-7.9,;4.16,-7.14,;6.84,-10.2,;6.85,-11.75,;8.19,-12.51,;9.51,-11.74,;10.85,-12.49,;10.87,-14.03,;9.54,-14.82,;9.56,-16.36,;10.89,-17.11,;12.22,-16.33,;12.21,-14.79,;13.53,-14.01,;12.18,-13.25,;14.88,-14.76,;14.86,-13.22,;10.9,-18.65,;10.15,-19.99,;9.36,-18.66,;12.25,-19.41,;12.25,-20.96,;13.58,-21.73,;13.58,-23.27,;14.91,-24.04,;14.91,-25.58,;16.25,-26.35,;17.58,-25.58,;17.58,-24.04,;18.91,-26.35,;20.25,-25.58,;20.41,-24.04,;21.91,-23.72,;22.68,-25.06,;24.21,-25.22,;21.65,-26.2,;22.04,-27.68,;13.58,-26.35,;13.58,-27.89,;12.25,-25.58,;10.91,-26.35,;10.91,-27.89,;12.09,-28.87,;13.56,-28.42,;14.45,-29.68,;15.97,-29.95,;16.49,-31.4,;15.49,-32.56,;16.01,-34.01,;17.53,-34.29,;18.52,-33.1,;18,-31.66,;13.52,-30.91,;12.07,-30.41,;9.58,-25.58,;9.58,-24.04,;8.24,-26.35,;6.91,-25.58,;5.58,-26.35,;4.24,-25.57,;4.25,-24.03,;2.91,-23.26,;5.58,-23.26,;6.91,-24.03,;12.18,-11.7,;13.5,-12.46,;14.82,-11.69,;14.81,-10.15,;13.48,-9.4,;12.17,-10.17,;10.83,-9.41,;9.51,-10.19,;8.17,-9.43,;16.13,-9.37,;16.12,-7.83,;14.78,-7.07,;17.47,-10.13,;18.8,-9.34,)| Show InChI InChI=1S/C58H73N11O9S3/c1-7-68(8-2)42-19-22-46-51(31-42)78-52-32-43(69(9-3)10-4)20-23-47(52)55(46)48-24-21-45(34-53(48)81(75,76)77)80(73,74)61-27-15-14-18-49(63-54(70)33-44-37-79-58(59)66(44)6)56(71)64-50(57(72)62-40-25-28-65(5)29-26-40)30-41-36-67(38-60-41)35-39-16-12-11-13-17-39/h11-13,16-17,19-24,31-32,34,36-38,40,49-50,59,61H,7-10,14-15,18,25-30,33,35H2,1-6H3,(H3-,62,63,64,70,71,72,75,76,77)/p+1/t49-,50-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [125I]-pE13F from human apelin receptor expressed in CHO cell membranes after 1 hr by gamma counting analysis				J Med Chem 57: 2908-19 (2014) Article DOI: 10.1021/jm401789v BindingDB Entry DOI: 10.7270/Q21J9C9F
					More data for this Ligand-Target Pair