BDBM50286614 CHEMBL155943::CHEMBL3143473::Sodium; 2-[2-{2-[(2,6-dimethyl-piperidine-1-carbonyl)-amino]-4,4-dimethyl-pentanoylamino}-3-(1-methoxymethyl-1H-indol-3-yl)-propionylamino]-hexanoate

SMILES: [Na+].CCCC[C@@H](NC(=O)[C@@H](Cc1cn(COC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C([O-])=O

InChI Key: InChIKey=VUMPRRVUQQKTMC-UHFFFAOYSA-M

Data: 2 IC50

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 = 50286614   

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
EDNRB (Homo sapiens (Human))	BDBM50286614 (CHEMBL155943 | CHEMBL3143473 | Sodium; 2-[2-{2-[(2...) Show SMILES [Na+].CCCC[C@@H](NC(=O)[C@@H](Cc1cn(COC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C([O-])=O |r| Show InChI InChI=1S/C34H53N5O6/c1-8-9-16-26(32(42)43)35-30(40)27(18-24-20-38(21-45-7)29-17-11-10-15-25(24)29)36-31(41)28(19-34(4,5)6)37-33(44)39-22(2)13-12-14-23(39)3/h10-11,15,17,20,22-23,26-28H,8-9,12-14,16,18-19,21H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against endothelin B (ETB) receptor using human girardi heart cells.				Bioorg Med Chem Lett 5: 621-626 (1995) Article DOI: 10.1016/0960-894X(95)00084-7 BindingDB Entry DOI: 10.7270/Q27081DM
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50286614 (CHEMBL155943 | CHEMBL3143473 | Sodium; 2-[2-{2-[(2...) Show SMILES [Na+].CCCC[C@@H](NC(=O)[C@@H](Cc1cn(COC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C([O-])=O |r| Show InChI InChI=1S/C34H53N5O6/c1-8-9-16-26(32(42)43)35-30(40)27(18-24-20-38(21-45-7)29-17-11-10-15-25(24)29)36-31(41)28(19-34(4,5)6)37-33(44)39-22(2)13-12-14-23(39)3/h10-11,15,17,20,22-23,26-28H,8-9,12-14,16,18-19,21H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/p-1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against endothelin A (ETA) receptor using human neuroblastoma cell line.				Bioorg Med Chem Lett 5: 621-626 (1995) Article DOI: 10.1016/0960-894X(95)00084-7 BindingDB Entry DOI: 10.7270/Q27081DM
					More data for this Ligand-Target Pair