BDBM50472918 CHEMBL324804::MEN-11970

SMILES: O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1

InChI Key: InChIKey=CEPOEKNDPFODJP-VXKWHMMOSA-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 = 50472918   

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))	BDBM50472918 (CHEMBL324804 | MEN-11970) Show SMILES O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1 Show InChI InChI=1S/C26H29N5O4/c32-23-10-11-24(33)30-22(15-18-16-29-20-9-5-4-8-19(18)20)26(35)31-21(25(34)28-13-12-27-23)14-17-6-2-1-3-7-17/h1-9,16,21-22,29H,10-15H2,(H,27,32)(H,28,34)(H,30,33)(H,31,35)/t21-,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.26E+3	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 Binding affinity towards Tachykinin receptor 2				J Med Chem 43: 4041-4 (2000) Article DOI: 10.1021/jm0010217 BindingDB Entry DOI: 10.7270/Q2Z322CV
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50472918 (CHEMBL324804 | MEN-11970) Show SMILES O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1 Show InChI InChI=1S/C26H29N5O4/c32-23-10-11-24(33)30-22(15-18-16-29-20-9-5-4-8-19(18)20)26(35)31-21(25(34)28-13-12-27-23)14-17-6-2-1-3-7-17/h1-9,16,21-22,29H,10-15H2,(H,27,32)(H,28,34)(H,30,33)(H,31,35)/t21-,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.26E+3	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