Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50212402'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Substance-P receptor (Homo sapiens (Human))	BDBM50212402 (CHEMBL558990) Show SMILES Cl.Cl.COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1C1CC1 |r| Show InChI InChI=1S/C23H28N6O.2ClH/c1-30-21-12-11-19(29-23(17-9-10-17)26-27-28-29)14-18(21)15-25-20-8-5-13-24-22(20)16-6-3-2-4-7-16;;/h2-4,6-7,11-12,14,17,20,22,24-25H,5,8-10,13,15H2,1H3;2*1H/t20-,22-;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]-substance P binding to human NK1 receptor expressed in chinese hamster ovary cells				Citation and Details BindingDB Entry DOI: 10.7270/Q2BR8VB5
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