BDBM50002946 CHEMBL394418

SMILES: O=C(NCCCN1CCCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCc2ccccc12)NC(=O)c1cc2ccccc2s1

InChI Key: InChIKey=PLGOSQCZTVEKNP-ZMLFZXNESA-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 = 50002946   

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))	BDBM50002946 (CHEMBL394418) Show SMILES O=C(NCCCN1CCCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCc2ccccc12)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H38N4O3S/c40-32(36-19-10-22-39-20-8-9-21-39)29(23-25-11-2-1-3-12-25)37-34(42)35(18-17-26-13-4-6-15-28(26)35)38-33(41)31-24-27-14-5-7-16-30(27)43-31/h1-7,11-16,24,29H,8-10,17-23H2,(H,36,40)(H,37,42)(H,38,41)/t29-,35?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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 (Homo sapiens (Human))	BDBM50002946 (CHEMBL394418) Show SMILES O=C(NCCCN1CCCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCc2ccccc12)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H38N4O3S/c40-32(36-19-10-22-39-20-8-9-21-39)29(23-25-11-2-1-3-12-25)37-34(42)35(18-17-26-13-4-6-15-28(26)35)38-33(41)31-24-27-14-5-7-16-30(27)43-31/h1-7,11-16,24,29H,8-10,17-23H2,(H,36,40)(H,37,42)(H,38,41)/t29-,35?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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