BDBM50292437 CHEMBL480101::acyl aszonalenin

SMILES: CC(=O)N1[C@H]2N3[C@@H](C[C@]2(c2ccccc12)C(C)(C)C=C)C(=O)Nc1ccccc1C3=O

InChI Key: InChIKey=TXNJQKDZOVFCAQ-GRYUFTJMSA-N

Data: 1 KI

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 = 50292437   

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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50292437 (CHEMBL480101 | acyl aszonalenin) Show SMILES CC(=O)N1[C@H]2N3[C@@H](C[C@]2(c2ccccc12)C(C)(C)C=C)C(=O)Nc1ccccc1C3=O |r| Show InChI InChI=1S/C25H25N3O3/c1-5-24(3,4)25-14-20-21(30)26-18-12-8-6-10-16(18)22(31)28(20)23(25)27(15(2)29)19-13-9-7-11-17(19)25/h5-13,20,23H,1,14H2,2-4H3,(H,26,30)/t20-,23-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]substance P from NK1 receptor in human astrocytoma cells				J Nat Prod 57: 471-476 (1994) Article DOI: 10.1021/np50106a005 BindingDB Entry DOI: 10.7270/Q2Q2408X
					More data for this Ligand-Target Pair