Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50002661'   

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))	BDBM50002661 (((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES CNc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(3.01,3.61,;4.32,4.38,;5.68,3.61,;7.01,4.38,;8.35,3.61,;8.34,2.07,;7.01,1.3,;5.68,2.07,;4.35,1.32,;4.35,-.24,;3.01,-1.01,;1.66,-.22,;2.43,-1.55,;1.1,-2.32,;1.66,-3.3,;.36,-2.55,;.36,-1.01,;3.01,-2.55,;4.35,-3.32,;4.32,-4.86,;2.99,-5.61,;2.99,-7.15,;4.32,-7.92,;5.68,-7.15,;5.67,-5.61,;5.89,-3.32,;6.65,-4.65,;8.19,-4.65,;8.96,-3.32,;8.17,-1.97,;6.63,-1.99,)| Show InChI InChI=1S/C28H33N3/c1-29-25-15-9-8-14-24(25)20-30-27-23-16-18-31(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-30H,16-20H2,1H3/t27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67.6	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.				J Med Chem 41: 3609-23 (1998) Article DOI: 10.1021/jm9700171 BindingDB Entry DOI: 10.7270/Q2V1260Z
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50002661 (((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES CNc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(3.01,3.61,;4.32,4.38,;5.68,3.61,;7.01,4.38,;8.35,3.61,;8.34,2.07,;7.01,1.3,;5.68,2.07,;4.35,1.32,;4.35,-.24,;3.01,-1.01,;1.66,-.22,;2.43,-1.55,;1.1,-2.32,;1.66,-3.3,;.36,-2.55,;.36,-1.01,;3.01,-2.55,;4.35,-3.32,;4.32,-4.86,;2.99,-5.61,;2.99,-7.15,;4.32,-7.92,;5.68,-7.15,;5.67,-5.61,;5.89,-3.32,;6.65,-4.65,;8.19,-4.65,;8.96,-3.32,;8.17,-1.97,;6.63,-1.99,)| Show InChI InChI=1S/C28H33N3/c1-29-25-15-9-8-14-24(25)20-30-27-23-16-18-31(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-30H,16-20H2,1H3/t27-,28-/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	68	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc. Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand				J Med Chem 35: 2591-600 (1992) BindingDB Entry DOI: 10.7270/Q2SJ1JJF
					More data for this Ligand-Target Pair