BDBM50286805 CHEMBL170121::[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-3-(1-methyl-1H-indol-3-yl)-propionylamino]-acetic acid

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

InChI Key: InChIKey=QBMRMNYMZHQMFI-FCHUYYIVSA-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 = 50286805   

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))	BDBM50286805 (CHEMBL170121 | [(R)-2-{(S)-2-[(Azepane-1-carbonyl)...) Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCC(O)=O Show InChI InChI=1S/C27H39N5O5/c1-18(2)14-21(30-27(37)32-12-8-4-5-9-13-32)26(36)29-22(25(35)28-16-24(33)34)15-19-17-31(3)23-11-7-6-10-20(19)23/h6-7,10-11,17-18,21-22H,4-5,8-9,12-16H2,1-3H3,(H,28,35)(H,29,36)(H,30,37)(H,33,34)/t21-,22+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	220	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