BDBM50030210 (R)-1-[1-(2-Dimethylamino-ethyl)-1H-indole-3-carbonyl]-4-hydroxy-pyrrolidine-2-carboxylic acid [(R)-1-(benzyl-methyl-carbamoyl)-2-phenyl-ethyl]-amide; hydrochloride::CHEMBL539762

SMILES: CN(C)CCn1cc(C(=O)N2C[C@H](O)CC2C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc12

InChI Key: InChIKey=QZYSMYBDECLSSY-JCHNJESXSA-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 = 50030210   

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 (GUINEA PIG)	BDBM50030210 ((R)-1-[1-(2-Dimethylamino-ethyl)-1H-indole-3-carbo...) Show SMILES CN(C)CCn1cc(C(=O)N2C[C@H](O)CC2C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C35H41N5O4/c1-37(2)18-19-39-24-29(28-16-10-11-17-31(28)39)34(43)40-23-27(41)21-32(40)33(42)36-30(20-25-12-6-4-7-13-25)35(44)38(3)22-26-14-8-5-9-15-26/h4-17,24,27,30,32,41H,18-23H2,1-3H3,(H,36,42)/t27-,30-,32?/m1/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair