BDBM50286802 3-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-3-(1-methyl-1H-indol-3-yl)-propionylamino]-propionic acid::CHEMBL173808

SMILES: CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCC(O)=O

InChI Key: InChIKey=UUTDVHMSEUUXBC-XZOQPEGZSA-N

Data: 1 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 1 hit for monomerid = 50286802   

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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50286802 (3-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...) Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCC(O)=O Show InChI InChI=1S/C28H41N5O5/c1-19(2)16-22(31-28(38)33-14-8-4-5-9-15-33)27(37)30-23(26(36)29-13-12-25(34)35)17-20-18-32(3)24-11-7-6-10-21(20)24/h6-7,10-11,18-19,22-23H,4-5,8-9,12-17H2,1-3H3,(H,29,36)(H,30,37)(H,31,38)(H,34,35)/t22-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.				Bioorg Med Chem Lett 5: 917-922 (1995) Article DOI: 10.1016/0960-894X(95)00144-I BindingDB Entry DOI: 10.7270/Q28S4PWG
					More data for this Ligand-Target Pair