Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50030236'   

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))	BDBM50030236 ((S)-((S)-8-Benzhydryl-7-aza-tricyclo[4.3.1.0*3,7*]...) Show SMILES COc1ccccc1CNC1C2CC3CCC(C2)N3[C@H]1C(c1ccccc1)c1ccccc1 |TLB:14:13:19.10:16.17| Show InChI InChI=1S/C30H34N2O/c1-33-27-15-9-8-14-23(27)20-31-29-24-18-25-16-17-26(19-24)32(25)30(29)28(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,24-26,28-31H,16-20H2,1H3/t24?,25?,26?,29?,30-/m0/s1	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	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc. Curated by ChEMBL					Assay Description Tested in vitro for the binding affinity towards NK1 receptor in human IM-9 cells using [125I]-labeled bolton-hunter substance P as ligand				J Med Chem 37: 2831-40 (1994) BindingDB Entry DOI: 10.7270/Q2CZ365J
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