Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50000232'   

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))	BDBM50000232 (CHEMBL136850) Show SMILES COc1cc(CN2CCN(C(COCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3ccccc3)C(Cc3ccccc3)C2)cc(OC)c1OC Show InChI InChI=1S/C38H40F6N2O4/c1-47-34-19-27(20-35(48-2)36(34)49-3)22-45-14-15-46(32(23-45)18-26-10-6-4-7-11-26)33(29-12-8-5-9-13-29)25-50-24-28-16-30(37(39,40)41)21-31(17-28)38(42,43)44/h4-13,16-17,19-21,32-33H,14-15,18,22-25H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	251	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
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