BDBM50286793 (R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-3-(1-methyl-1H-indol-3-yl)-propionylamino]-succinic acid::CHEMBL170600

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

InChI Key: InChIKey=OBDFCBOIWCPVCN-YTFSRNRJSA-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 = 50286793   

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))	BDBM50286793 ((R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...) Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C29H41N5O7/c1-18(2)14-21(32-29(41)34-12-8-4-5-9-13-34)26(37)30-22(27(38)31-23(28(39)40)16-25(35)36)15-19-17-33(3)24-11-7-6-10-20(19)24/h6-7,10-11,17-18,21-23H,4-5,8-9,12-16H2,1-3H3,(H,30,37)(H,31,38)(H,32,41)(H,35,36)(H,39,40)/t21-,22+,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	295	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