BDBM50419333 CHEMBL1911970

SMILES: CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CC(=O)NC1(CO)CO

InChI Key: InChIKey=ZXJRUKOAFOUFIR-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50419333   

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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50419333 (CHEMBL1911970) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CC(=O)NC1(CO)CO Show InChI InChI=1S/C31H30F7N3O4/c1-16-7-20(32)5-6-21(16)22-11-24(23-12-26(44)40-29(23,14-42)15-43)39-13-25(22)41(4)27(45)28(2,3)17-8-18(30(33,34)35)10-19(9-17)31(36,37)38/h5-11,13,23,42-43H,12,14-15H2,1-4H3,(H,40,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium l...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419333 (CHEMBL1911970) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CC(=O)NC1(CO)CO Show InChI InChI=1S/C31H30F7N3O4/c1-16-7-20(32)5-6-21(16)22-11-24(23-12-26(44)40-29(23,14-42)15-43)39-13-25(22)41(4)27(45)28(2,3)17-8-18(30(33,34)35)10-19(9-17)31(36,37)38/h5-11,13,23,42-43H,12,14-15H2,1-4H3,(H,40,44)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419333 (CHEMBL1911970) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CC(=O)NC1(CO)CO Show InChI InChI=1S/C31H30F7N3O4/c1-16-7-20(32)5-6-21(16)22-11-24(23-12-26(44)40-29(23,14-42)15-43)39-13-25(22)41(4)27(45)28(2,3)17-8-18(30(33,34)35)10-19(9-17)31(36,37)38/h5-11,13,23,42-43H,12,14-15H2,1-4H3,(H,40,44)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419333 (CHEMBL1911970) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CC(=O)NC1(CO)CO Show InChI InChI=1S/C31H30F7N3O4/c1-16-7-20(32)5-6-21(16)22-11-24(23-12-26(44)40-29(23,14-42)15-43)39-13-25(22)41(4)27(45)28(2,3)17-8-18(30(33,34)35)10-19(9-17)31(36,37)38/h5-11,13,23,42-43H,12,14-15H2,1-4H3,(H,40,44)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair