null

SMILES: COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O

InChI Key: InChIKey=VHQVJYKYAGBACO-UDKJZQBVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50118098   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Substance-P receptor (Homo sapiens (Human))	BDBM50118098 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(44-2)21-35(31)45(3)43/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50118098 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(44-2)21-35(31)45(3)43/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50118098 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(44-2)21-35(31)45(3)43/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair