Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50070388'   

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))	BDBM50070388 (CHEMBL3408734) Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(CC(C)C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C41H56N8O5/c1-26(2)23-49(24-29-11-6-5-7-12-29)37(51)16-18-48-25-31-14-9-8-13-30(31)21-36(40(48)54)47-39(53)35(15-10-17-45-41(43)44)46-38(52)34(42)22-33-27(3)19-32(50)20-28(33)4/h5-9,11-14,19-20,26,34-36,50H,10,15-18,21-25,42H2,1-4H3,(H,46,52)(H,47,53)(H4,43,44,45)/t34-,35+,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	308	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting analysis				Eur J Med Chem 92: 64-77 (2015) Article DOI: 10.1016/j.ejmech.2014.12.033 BindingDB Entry DOI: 10.7270/Q2M90BCC
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