BDBM50050033 5-Methyl-2-((R)-2-(1-methyl-1H-indol-3-yl)-1-{(S)-4-methyl-2-[(1-oxa-4-aza-spiro[4.5]decane-4-carbonyl)-amino]-pentanoylamino}-ethyl)-oxazole-4-carboxylic acid::CHEMBL367551

SMILES: CC(C)C[C@H](NC(=O)N1CCOC11CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1

InChI Key: InChIKey=JICVNKHGPWAGMS-BJKOFHAPSA-N

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 = 50050033   

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
EDNRA (RAT)	BDBM50050033 (5-Methyl-2-((R)-2-(1-methyl-1H-indol-3-yl)-1-{(S)-...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOC11CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1 Show InChI InChI=1S/C31H41N5O6/c1-19(2)16-23(33-30(40)36-14-15-41-31(36)12-8-5-9-13-31)27(37)32-24(28-34-26(29(38)39)20(3)42-28)17-21-18-35(4)25-11-7-6-10-22(21)25/h6-7,10-11,18-19,23-24H,5,8-9,12-17H2,1-4H3,(H,32,37)(H,33,40)(H,38,39)/t23-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was evaluated against ET- A Binding to Endothelin A receptor in MMQ cell homogenates				J Med Chem 39: 968-81 (1996) Article DOI: 10.1021/jm950592+ BindingDB Entry DOI: 10.7270/Q2J38RMT
					More data for this Ligand-Target Pair
Endothelin receptor ET-B (Sus scrofa)	BDBM50050033 (5-Methyl-2-((R)-2-(1-methyl-1H-indol-3-yl)-1-{(S)-...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOC11CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1 Show InChI InChI=1S/C31H41N5O6/c1-19(2)16-23(33-30(40)36-14-15-41-31(36)12-8-5-9-13-31)27(37)32-24(28-34-26(29(38)39)20(3)42-28)17-21-18-35(4)25-11-7-6-10-22(21)25/h6-7,10-11,18-19,23-24H,5,8-9,12-17H2,1-4H3,(H,32,37)(H,33,40)(H,38,39)/t23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was evaluated against ET- B Binding to Endothelin B receptor from porcine cerebellar membranes				J Med Chem 39: 968-81 (1996) Article DOI: 10.1021/jm950592+ BindingDB Entry DOI: 10.7270/Q2J38RMT
					More data for this Ligand-Target Pair