BDBM50002950 CHEMBL237304

SMILES: O=C(NCCCN1CCCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1

InChI Key: InChIKey=XLUWKRGQEQCIRX-AREMUKBSSA-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 = 50002950   

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))	BDBM50002950 (CHEMBL237304) Show SMILES O=C(NCCCN1CCCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H40N4O3S/c37-29(33-18-11-21-36-19-9-10-20-36)26(22-24-12-3-1-4-13-24)34-31(39)32(16-7-2-8-17-32)35-30(38)28-23-25-14-5-6-15-27(25)40-28/h1,3-6,12-15,23,26H,2,7-11,16-22H2,(H,33,37)(H,34,39)(H,35,38)/t26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche SpA Curated by ChEMBL					Assay Description Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells				Bioorg Med Chem Lett 17: 4841-4 (2007) Checked by Author Article DOI: 10.1016/j.bmcl.2007.06.053 BindingDB Entry DOI: 10.7270/Q22F7PXR
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (GUINEA PIG)	BDBM50002950 (CHEMBL237304) Show SMILES O=C(NCCCN1CCCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H40N4O3S/c37-29(33-18-11-21-36-19-9-10-20-36)26(22-24-12-3-1-4-13-24)34-31(39)32(16-7-2-8-17-32)35-30(38)28-23-25-14-5-6-15-27(25)40-28/h1,3-6,12-15,23,26H,2,7-11,16-22H2,(H,33,37)(H,34,39)(H,35,38)/t26-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche SpA Curated by ChEMBL					Assay Description Agonist activity at NK2 receptor in guinea pig smooth muscle				Bioorg Med Chem Lett 17: 4841-4 (2007) Checked by Author Article DOI: 10.1016/j.bmcl.2007.06.053 BindingDB Entry DOI: 10.7270/Q22F7PXR
					More data for this Ligand-Target Pair