BDBM50002996 CHEMBL396827

SMILES: CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc2ccccc2s1

InChI Key: InChIKey=LNCSKIVFDGRAQA-MGBGTMOVSA-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 = 50002996   

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))	BDBM50002996 (CHEMBL396827) Show SMILES CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C39H48N4O3S/c1-3-5-22-43(23-6-4-2)24-14-21-40-36(44)33(25-29-15-8-7-9-16-29)41-38(46)39(27-31-18-10-11-19-32(31)28-39)42-37(45)35-26-30-17-12-13-20-34(30)47-35/h7-13,15-20,26,33H,3-6,14,21-25,27-28H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)/t33-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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)	BDBM50002996 (CHEMBL396827) Show SMILES CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C39H48N4O3S/c1-3-5-22-43(23-6-4-2)24-14-21-40-36(44)33(25-29-15-8-7-9-16-29)41-38(46)39(27-31-18-10-11-19-32(31)28-39)42-37(45)35-26-30-17-12-13-20-34(30)47-35/h7-13,15-20,26,33H,3-6,14,21-25,27-28H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)/t33-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	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