BDBM106978 US8592454, 176

SMILES: CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=MVWDYFOJQAABRA-LOSJGSFVSA-N

Data: 3 IC50

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 3 hits for monomerid = 106978   

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))	BDBM106978 (US8592454, 176) Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C27H31Cl2FN4O3/c1-17(35)33-10-8-19(9-11-33)26(36)34-15-24(18-4-6-22(30)7-5-18)25(16-34)32(3)27(37)31(2)23-13-20(28)12-21(29)14-23/h4-7,12-14,19,24-25H,8-11,15-16H2,1-3H3/t24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0290	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligand receptor binding inhibitory assay using human NK receptor.				US Patent US8592454 (2013) BindingDB Entry DOI: 10.7270/Q2XD10B0
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM106978 (US8592454, 176) Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C27H31Cl2FN4O3/c1-17(35)33-10-8-19(9-11-33)26(36)34-15-24(18-4-6-22(30)7-5-18)25(16-34)32(3)27(37)31(2)23-13-20(28)12-21(29)14-23/h4-7,12-14,19,24-25H,8-11,15-16H2,1-3H3/t24-,25+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligand receptor binding inhibitory assay using human NK receptor.				US Patent US8592454 (2013) BindingDB Entry DOI: 10.7270/Q2XD10B0
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM106978 (US8592454, 176) Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C27H31Cl2FN4O3/c1-17(35)33-10-8-19(9-11-33)26(36)34-15-24(18-4-6-22(30)7-5-18)25(16-34)32(3)27(37)31(2)23-13-20(28)12-21(29)14-23/h4-7,12-14,19,24-25H,8-11,15-16H2,1-3H3/t24-,25+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligand receptor binding inhibitory assay using human NK receptor.				US Patent US8592454 (2013) BindingDB Entry DOI: 10.7270/Q2XD10B0
					More data for this Ligand-Target Pair