BDBM50009571 CHEMBL3234461

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[n+]3C)C(=O)NCC3CCN(C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC

InChI Key: InChIKey=GDVCCXXQASCRNH-XWQGWOARSA-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 = 50009571   

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))	BDBM50009571 (CHEMBL3234461) 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[n+]3C)C(=O)NCC3CCN(C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:43.45,wD:28.28,(9.2,-3.27,;10.53,-4.03,;10.54,-5.57,;9.22,-6.35,;9.22,-7.89,;11.87,-6.33,;11.88,-7.88,;13.22,-8.64,;14.55,-7.86,;15.88,-8.61,;15.9,-10.15,;14.57,-10.94,;14.59,-12.48,;15.92,-13.23,;17.25,-12.45,;17.24,-10.91,;18.57,-10.13,;17.22,-9.38,;19.91,-10.89,;19.89,-9.35,;15.94,-14.77,;14.4,-14.78,;15.18,-16.11,;17.28,-15.53,;17.28,-17.08,;18.61,-17.85,;18.61,-19.39,;19.95,-20.16,;19.95,-21.7,;21.28,-22.47,;22.61,-21.7,;22.61,-20.16,;23.95,-22.47,;25.28,-21.7,;25.44,-20.17,;26.95,-19.85,;27.72,-21.18,;29.25,-21.34,;26.68,-22.33,;27.07,-23.81,;18.61,-22.47,;18.61,-24.01,;17.28,-21.7,;15.94,-22.47,;15.94,-24.01,;17.12,-25,;18.6,-24.54,;19.48,-25.8,;21,-26.07,;21.52,-27.52,;20.52,-28.69,;21.05,-30.14,;22.56,-30.41,;23.56,-29.22,;23.03,-27.78,;18.56,-27.03,;17.1,-26.53,;16,-27.62,;14.61,-21.7,;14.61,-20.16,;13.28,-22.47,;11.94,-21.7,;10.61,-22.47,;9.28,-21.71,;7.95,-22.47,;7.94,-24.01,;6.61,-24.78,;9.28,-24.79,;10.62,-24.02,;17.21,-7.83,;18.53,-8.58,;19.85,-7.81,;19.84,-6.28,;18.51,-5.53,;17.2,-6.3,;15.87,-5.53,;14.54,-6.32,;13.2,-5.55,;21.17,-5.49,;22.51,-6.25,;23.83,-5.47,;21.15,-3.95,;19.81,-3.2,)| Show InChI InChI=1S/C60H77N11O9S3/c1-8-70(9-2)43-20-23-48-53(32-43)80-54-33-44(71(10-3)11-4)21-24-49(54)57(48)50-25-22-47(35-55(50)83(77,78)79)82(75,76)63-28-16-15-19-51(64-56(72)34-46-39-81-60(61)68(46)7)59(74)65-52(58(73)62-36-41-26-29-66(5)30-27-41)31-45-38-69(40-67(45)6)37-42-17-13-12-14-18-42/h12-14,17-18,20-25,32-33,35,38-41,51-52,61,63H,8-11,15-16,19,26-31,34,36-37H2,1-7H3,(H2-2,62,64,65,72,73,74,77,78,79)/p+1/t51-,52-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	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