Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50099524'   

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))	BDBM50099524 (3-[5-Chloro-2-(4-chloro-phenyl)-1H-indol-3-yl]-1-[...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H27Cl2N3O2/c1-35-26-5-3-2-4-25(26)32-14-16-33(17-15-32)27(34)13-11-22-23-18-21(30)10-12-24(23)31-28(22)19-6-8-20(29)9-7-19/h2-10,12,18,31H,11,13-17H2,1H3	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	0.890	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
Substance-P receptor (Homo sapiens (Human))	BDBM50099524 (3-[5-Chloro-2-(4-chloro-phenyl)-1H-indol-3-yl]-1-[...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H27Cl2N3O2/c1-35-26-5-3-2-4-25(26)32-14-16-33(17-15-32)27(34)13-11-22-23-18-21(30)10-12-24(23)31-28(22)19-6-8-20(29)9-7-19/h2-10,12,18,31H,11,13-17H2,1H3	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	0.890	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