BDBM97488 US8470816, 629

SMILES: CCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1

InChI Key: InChIKey=OPXQSXQYMAOGJY-MNPASWOKSA-N

Data: 1 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 1 hit for monomerid = 97488   

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))	BDBM97488 (US8470816, 629) Show SMILES CCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1 Show InChI InChI=1S/C29H36Cl2N4O4/c1-33(28(36)19-2-5-21(6-3-19)34-11-14-38-15-12-34)27-8-10-35(29(37)22-9-13-39-18-26(22)32)17-23(27)20-4-7-24(30)25(31)16-20/h2-7,16,22-23,26-27H,8-15,17-18,32H2,1H3/t22?,23-,26+,27+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
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