BDBM50421569 CHEMBL108822

SMILES: Cc1cc(C)cc(COCC(N2CCNCC2)c2ccccc2)c1

InChI Key: InChIKey=KMWRUIFFHQONSY-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 50421569   

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 1 receptor (Homo sapiens (Human))	BDBM50421569 (CHEMBL108822) Show SMILES Cc1cc(C)cc(COCC(N2CCNCC2)c2ccccc2)c1 Show InChI InChI=1S/C21H28N2O/c1-17-12-18(2)14-19(13-17)15-24-16-21(20-6-4-3-5-7-20)23-10-8-22-9-11-23/h3-7,12-14,21-22H,8-11,15-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 13: 437-42 (2003) Checked by Author BindingDB Entry DOI: 10.7270/Q2MC91J0
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50421569 (CHEMBL108822) Show SMILES Cc1cc(C)cc(COCC(N2CCNCC2)c2ccccc2)c1 Show InChI InChI=1S/C21H28N2O/c1-17-12-18(2)14-19(13-17)15-24-16-21(20-6-4-3-5-7-20)23-10-8-22-9-11-23/h3-7,12-14,21-22H,8-11,15-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand				Bioorg Med Chem Lett 12: 3195-8 (2002) BindingDB Entry DOI: 10.7270/Q2KW5HBF
					More data for this Ligand-Target Pair