BDBM50421573 CHEMBL321892

SMILES: Fc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1

InChI Key: InChIKey=CSQCMKYFLRHQKN-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 = 50421573   

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))	BDBM50421573 (CHEMBL321892) Show SMILES Fc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C21H21F7N2O/c22-18-4-2-1-3-17(18)19(30-7-5-29-6-8-30)13-31-12-14-9-15(20(23,24)25)11-16(10-14)21(26,27)28/h1-4,9-11,19,29H,5-8,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	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))	BDBM50421573 (CHEMBL321892) Show SMILES Fc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C21H21F7N2O/c22-18-4-2-1-3-17(18)19(30-7-5-29-6-8-30)13-31-12-14-9-15(20(23,24)25)11-16(10-14)21(26,27)28/h1-4,9-11,19,29H,5-8,12-13H2	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	5	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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50421573 (CHEMBL321892) Show SMILES Fc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C21H21F7N2O/c22-18-4-2-1-3-17(18)19(30-7-5-29-6-8-30)13-31-12-14-9-15(20(23,24)25)11-16(10-14)21(26,27)28/h1-4,9-11,19,29H,5-8,12-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	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