Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50049330'   

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))	BDBM50049330 (CHEMBL164175 | N-[1-{[Acetyl-(4-methoxy-benzyl)-am...) Show SMILES COc1ccc(CN(CC(Cc2c[nH]c3ccccc23)NC(=O)CN2CCN(CC2)c2ccccc2)C(C)=O)cc1 Show InChI InChI=1S/C33H39N5O3/c1-25(39)38(22-26-12-14-30(41-2)15-13-26)23-28(20-27-21-34-32-11-7-6-10-31(27)32)35-33(40)24-36-16-18-37(19-17-36)29-8-4-3-5-9-29/h3-15,21,28,34H,16-20,22-24H2,1-2H3,(H,35,40)	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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50049330 (CHEMBL164175 | N-[1-{[Acetyl-(4-methoxy-benzyl)-am...) Show SMILES COc1ccc(CN(CC(Cc2c[nH]c3ccccc23)NC(=O)CN2CCN(CC2)c2ccccc2)C(C)=O)cc1 Show InChI InChI=1S/C33H39N5O3/c1-25(39)38(22-26-12-14-30(41-2)15-13-26)23-28(20-27-21-34-32-11-7-6-10-31(27)32)35-33(40)24-36-16-18-37(19-17-36)29-8-4-3-5-9-29/h3-15,21,28,34H,16-20,22-24H2,1-2H3,(H,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Tachykinin receptor 1 in rat brain using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair