BDBM50106893 3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N-(4,5-dibromo-thiophen-2-ylmethyl)-N'-methyl-hydrazino]-N-((R)-2-oxo-azepan-3-yl)-propionamide::CHEMBL105295

SMILES: CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Br)c(Br)s1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=FUGAUMFXDDXKOJ-GOSISDBHSA-N

Data: 2 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 2 hits for monomerid = 50106893   

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 2 receptor (Homo sapiens (Human))	BDBM50106893 (3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N-(4,5-dib...) Show SMILES CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Br)c(Br)s1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H24Br2F6N4O3S/c1-35(22(39)13-8-14(23(27,28)29)10-15(9-13)24(30,31)32)36(12-16-11-17(25)20(26)40-16)7-5-19(37)34-18-4-2-3-6-33-21(18)38/h8-11,18H,2-7,12H2,1H3,(H,33,38)(H,34,37)/t18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50106893 (3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N-(4,5-dib...) Show SMILES CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Br)c(Br)s1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H24Br2F6N4O3S/c1-35(22(39)13-8-14(23(27,28)29)10-15(9-13)24(30,31)32)36(12-16-11-17(25)20(26)40-16)7-5-19(37)34-18-4-2-3-6-33-21(18)38/h8-11,18H,2-7,12H2,1H3,(H,33,38)(H,34,37)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair