Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50002649'   

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))	BDBM50002649 (((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES Clc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:9.9,16.19,(9.8,6.67,;10.58,5.34,;11.99,5.92,;13.21,4.99,;13.02,3.45,;11.6,2.86,;10.37,3.82,;8.94,3.22,;8.75,1.7,;7.4,.93,;6.07,1.7,;4.76,.93,;4.76,-.61,;6.07,-1.38,;5.75,-.71,;6.84,.37,;7.4,-.61,;8.75,-1.38,;10.08,-.61,;11.41,-1.38,;12.75,-.61,;12.75,.93,;11.41,1.7,;10.08,.93,;8.73,-2.92,;7.4,-3.69,;7.4,-5.23,;8.73,-6,;10.08,-5.23,;10.06,-3.69,)| Show InChI InChI=1S/C27H29ClN2/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,29H,15-19H2/t26-,27-/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	33	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
Substance-P receptor (Homo sapiens (Human))	BDBM50002649 (((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES Clc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:9.9,16.19,(9.8,6.67,;10.58,5.34,;11.99,5.92,;13.21,4.99,;13.02,3.45,;11.6,2.86,;10.37,3.82,;8.94,3.22,;8.75,1.7,;7.4,.93,;6.07,1.7,;4.76,.93,;4.76,-.61,;6.07,-1.38,;5.75,-.71,;6.84,.37,;7.4,-.61,;8.75,-1.38,;10.08,-.61,;11.41,-1.38,;12.75,-.61,;12.75,.93,;11.41,1.7,;10.08,.93,;8.73,-2.92,;7.4,-3.69,;7.4,-5.23,;8.73,-6,;10.08,-5.23,;10.06,-3.69,)| Show InChI InChI=1S/C27H29ClN2/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,29H,15-19H2/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding potency of the compound against SP receptor in bovine caudate using [3H]- as radioligand				Bioorg Med Chem Lett 1: 129-132 (1991) Article DOI: 10.1016/S0960-894X(00)80246-2 BindingDB Entry DOI: 10.7270/Q28P60DN
					More data for this Ligand-Target Pair