BDBM50081202 CHEMBL3421998::US10544150, Compound 44

SMILES: C[C@H]1N(CCn2c1nnc2-c1ccccn1)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=LOZJQVNFZDFQIJ-GFCCVEGCSA-N

Data: 2 KI  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 3 hits for monomerid = 50081202   

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))	BDBM50081202 (CHEMBL3421998 | US10544150, Compound 44) Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccccn1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H16FN5O/c1-12-16-21-22-17(15-4-2-3-9-20-15)24(16)11-10-23(12)18(25)13-5-7-14(19)8-6-13/h2-9,12H,10-11H2,1H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis				J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC
					More data for this Ligand-Target Pair
Neurokinin 3 receptor (Homo sapiens (Human))	BDBM50081202 (CHEMBL3421998 | US10544150, Compound 44) Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccccn1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H16FN5O/c1-12-16-21-22-17(15-4-2-3-9-20-15)24(16)11-10-23(12)18(25)13-5-7-14(19)8-6-13/h2-9,12H,10-11H2,1H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...				US Patent US10544150 (2020) BindingDB Entry DOI: 10.7270/Q2XW4N7G
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50081202 (CHEMBL3421998 | US10544150, Compound 44) Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccccn1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H16FN5O/c1-12-16-21-22-17(15-4-2-3-9-20-15)24(16)11-10-23(12)18(25)13-5-7-14(19)8-6-13/h2-9,12H,10-11H2,1H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ biolumines...				J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC
					More data for this Ligand-Target Pair