BDBM50066173 (S)-Pyrrolidine-1,2-dicarboxylic acid 2-{[(S)-1-(benzyl-methyl-carbamoyl)-2-naphthalen-2-yl-ethyl]-amide} 1-[(4-fluoro-phenyl)-amide]::CHEMBL108040

SMILES: CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1

InChI Key: InChIKey=GQLYJEDNLFTQBD-KYJUHHDHSA-N

Data: 1 KI  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 2 hits for monomerid = 50066173   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50066173 ((S)-Pyrrolidine-1,2-dicarboxylic acid 2-{[(S)-1-(b...) Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C33H33FN4O3/c1-37(22-23-8-3-2-4-9-23)32(40)29(21-24-13-14-25-10-5-6-11-26(25)20-24)36-31(39)30-12-7-19-38(30)33(41)35-28-17-15-27(34)16-18-28/h2-6,8-11,13-18,20,29-30H,7,12,19,21-22H2,1H3,(H,35,41)(H,36,39)/t29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description In vitro binding affinity towards Tachykinin receptor 1 by measuring its ability to displace [3H]SP (0.6 nM) binding to membranes from Cos-7 cells tr...				J Med Chem 41: 3159-73 (1998) Article DOI: 10.1021/jm970499g BindingDB Entry DOI: 10.7270/Q2BZ66QJ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50066173 ((S)-Pyrrolidine-1,2-dicarboxylic acid 2-{[(S)-1-(b...) Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C33H33FN4O3/c1-37(22-23-8-3-2-4-9-23)32(40)29(21-24-13-14-25-10-5-6-11-26(25)20-24)36-31(39)30-12-7-19-38(30)33(41)35-28-17-15-27(34)16-18-28/h2-6,8-11,13-18,20,29-30H,7,12,19,21-22H2,1H3,(H,35,41)(H,36,39)/t29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Tachykinin receptor 1 agonistic activity as inhibition of contractions evoked by 4 nM [Sar9,Met(O2)11]-SP in guinea pig ileum				J Med Chem 41: 3159-73 (1998) Article DOI: 10.1021/jm970499g BindingDB Entry DOI: 10.7270/Q2BZ66QJ
					More data for this Ligand-Target Pair