BDBM100777 US8507535, 16

SMILES: C[C@]1(COc2ccc(Cl)cn2)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C#N

InChI Key: InChIKey=WKLSHIPGLRQUCP-VAVYLYDRSA-N

Data: 1 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 1 hit for monomerid = 100777   

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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM100777 (US8507535, 16) Show SMILES C[C@]1(COc2ccc(Cl)cn2)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C#N |r| Show InChI InChI=1S/C29H29Cl2N5O2/c1-29(19-38-27-9-7-24(31)16-34-27)18-36(17-25(29)21-3-5-23(30)6-4-21)28(37)22-10-12-35(13-11-22)26-8-2-20(14-32)15-33-26/h2-9,15-16,22,25H,10-13,17-19H2,1H3/t25-,29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Competition binding assay using hNK3 receptor.				US Patent US8507535 (2013) BindingDB Entry DOI: 10.7270/Q27H1H67
					More data for this Ligand-Target Pair