Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50029582   

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))	BDBM50000041 ((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...) Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human NK1 receptor was determined				Bioorg Med Chem Lett 5: 2671-2676 (1995) Article DOI: 10.1016/0960-894X(95)00481-8 BindingDB Entry DOI: 10.7270/Q2V40V5B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM50000041 ((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...) Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity measured by displacement of tritiated radiolabeled substance P from cloned human NK1 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 5: 2671-2676 (1995) Article DOI: 10.1016/0960-894X(95)00481-8 BindingDB Entry DOI: 10.7270/Q2V40V5B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM50213785 (CHEMBL91475) Show SMILES COc1ccccc1CN[C@H]1CCCN[C@]11CCc2ccccc12 Show InChI InChI=1S/C21H26N2O/c1-24-19-10-5-3-8-17(19)15-22-20-11-6-14-23-21(20)13-12-16-7-2-4-9-18(16)21/h2-5,7-10,20,22-23H,6,11-15H2,1H3/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity measured by displacement of tritiated radiolabeled substance P from cloned human NK1 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 5: 2671-2676 (1995) Article DOI: 10.1016/0960-894X(95)00481-8 BindingDB Entry DOI: 10.7270/Q2V40V5B
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50213784 (CHEMBL91840) Show SMILES COc1ccccc1CN[C@H]1CCCN[C@@]11CCc2ccccc12 Show InChI InChI=1S/C21H26N2O/c1-24-19-10-5-3-8-17(19)15-22-20-11-6-14-23-21(20)13-12-16-7-2-4-9-18(16)21/h2-5,7-10,20,22-23H,6,11-15H2,1H3/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity measured by displacement of tritiated radiolabeled substance P from cloned human NK1 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 5: 2671-2676 (1995) Article DOI: 10.1016/0960-894X(95)00481-8 BindingDB Entry DOI: 10.7270/Q2V40V5B
					More data for this Ligand-Target Pair