Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50099509'   

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))	BDBM50099509 (3-[2-(4-Bromo-phenyl)-5-methyl-1H-indol-3-yl]-1-[4...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccc(Br)cc1 Show InChI InChI=1S/C29H30BrN3O2/c1-20-7-13-25-24(19-20)23(29(31-25)21-8-10-22(30)11-9-21)12-14-28(34)33-17-15-32(16-18-33)26-5-3-4-6-27(26)35-2/h3-11,13,19,31H,12,14-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099509 (3-[2-(4-Bromo-phenyl)-5-methyl-1H-indol-3-yl]-1-[4...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccc(Br)cc1 Show InChI InChI=1S/C29H30BrN3O2/c1-20-7-13-25-24(19-20)23(29(31-25)21-8-10-22(30)11-9-21)12-14-28(34)33-17-15-32(16-18-33)26-5-3-4-6-27(26)35-2/h3-11,13,19,31H,12,14-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-labeled substance P from human cloned Tachykinin receptor 1 in CHO cells.				Bioorg Med Chem Lett 11: 3031-4 (2001) BindingDB Entry DOI: 10.7270/Q2C24VQ0
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099509 (3-[2-(4-Bromo-phenyl)-5-methyl-1H-indol-3-yl]-1-[4...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccc(Br)cc1 Show InChI InChI=1S/C29H30BrN3O2/c1-20-7-13-25-24(19-20)23(29(31-25)21-8-10-22(30)11-9-21)12-14-28(34)33-17-15-32(16-18-33)26-5-3-4-6-27(26)35-2/h3-11,13,19,31H,12,14-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells(*).				Bioorg Med Chem Lett 11: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair