BDBM50473822 CHEMBL438559::MEN-11799

SMILES: N[C@H]1CC(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O

InChI Key: InChIKey=ZHWCPOLTRZEWQE-KCXYBRFRSA-N

Data: 2 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 2 hits for monomerid = 50473822   

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 2 receptor (Homo sapiens (Human))	BDBM50473822 (CHEMBL438559 | MEN-11799) Show SMILES N[C@H]1CC(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O Show InChI InChI=1S/C33H36N6O4/c34-26-18-30(40)36-20-24(15-21-9-3-1-4-10-21)37-32(42)28(16-22-11-5-2-6-12-22)39-33(43)29(38-31(26)41)17-23-19-35-27-14-8-7-13-25(23)27/h1-14,19,24,26,28-29,35H,15-18,20,34H2,(H,36,40)(H,37,42)(H,38,41)(H,39,43)/t24-,26+,28+,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.A. Curated by ChEMBL					Assay Description Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells				J Med Chem 47: 6935-47 (2004) Article DOI: 10.1021/jm040832y BindingDB Entry DOI: 10.7270/Q2T43WVJ
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50473822 (CHEMBL438559 | MEN-11799) Show SMILES N[C@H]1CC(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O Show InChI InChI=1S/C33H36N6O4/c34-26-18-30(40)36-20-24(15-21-9-3-1-4-10-21)37-32(42)28(16-22-11-5-2-6-12-22)39-33(43)29(38-31(26)41)17-23-19-35-27-14-8-7-13-25(23)27/h1-14,19,24,26,28-29,35H,15-18,20,34H2,(H,36,40)(H,37,42)(H,38,41)(H,39,43)/t24-,26+,28+,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.A. Curated by ChEMBL					Assay Description Inhibitory affinity constant (pKi) against tachykinin receptor 2 (NK-2R) using heterologous competition experiments				J Med Chem 45: 3418-29 (2002) Article DOI: 10.1021/jm011127h BindingDB Entry DOI: 10.7270/Q2765J28
					More data for this Ligand-Target Pair