BDBM50421558 CHEMBL432627

SMILES: COc1c(Br)cc(Br)cc1COCC(N1CCNCC1)c1ccccc1

InChI Key: InChIKey=SSSMQSQCNAOVLJ-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50421558   

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))	BDBM50421558 (CHEMBL432627) Show SMILES COc1c(Br)cc(Br)cc1COCC(N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C20H24Br2N2O2/c1-25-20-16(11-17(21)12-18(20)22)13-26-14-19(15-5-3-2-4-6-15)24-9-7-23-8-10-24/h2-6,11-12,19,23H,7-10,13-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.90	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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50421558 (CHEMBL432627) Show SMILES COc1c(Br)cc(Br)cc1COCC(N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C20H24Br2N2O2/c1-25-20-16(11-17(21)12-18(20)22)13-26-14-19(15-5-3-2-4-6-15)24-9-7-23-8-10-24/h2-6,11-12,19,23H,7-10,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.				Bioorg Med Chem Lett 12: 3195-8 (2002) BindingDB Entry DOI: 10.7270/Q2KW5HBF
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50421558 (CHEMBL432627) Show SMILES COc1c(Br)cc(Br)cc1COCC(N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C20H24Br2N2O2/c1-25-20-16(11-17(21)12-18(20)22)13-26-14-19(15-5-3-2-4-6-15)24-9-7-23-8-10-24/h2-6,11-12,19,23H,7-10,13-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.90	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