BDBM50081400 CHEMBL3422000::US10544150, Compound 11

SMILES: Cc1cccc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=UQPULIPFKDYVSO-UHFFFAOYSA-N

Data: 2 KI  6 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 8 hits for monomerid = 50081400   

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 3 receptor (Homo sapiens (Human))	BDBM50081400 (CHEMBL3422000 | US10544150, Compound 11) Show SMILES Cc1cccc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C18H16FN5O/c1-12-3-2-4-15(20-12)17-22-21-16-11-23(9-10-24(16)17)18(25)13-5-7-14(19)8-6-13/h2-8H,9-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	<500	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))	BDBM50081400 (CHEMBL3422000 | US10544150, Compound 11) Show SMILES Cc1cccc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C18H16FN5O/c1-12-3-2-4-15(20-12)17-22-21-16-11-23(9-10-24(16)17)18(25)13-5-7-14(19)8-6-13/h2-8H,9-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	501	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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50081400 (CHEMBL3422000 | US10544150, Compound 11) Show SMILES Cc1cccc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C18H16FN5O/c1-12-3-2-4-15(20-12)17-22-21-16-11-23(9-10-24(16)17)18(25)13-5-7-14(19)8-6-13/h2-8H,9-11H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system				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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50081400 (CHEMBL3422000 | US10544150, Compound 11) Show SMILES Cc1cccc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C18H16FN5O/c1-12-3-2-4-15(20-12)17-22-21-16-11-23(9-10-24(16)17)18(25)13-5-7-14(19)8-6-13/h2-8H,9-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system				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
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50081400 (CHEMBL3422000 | US10544150, Compound 11) Show SMILES Cc1cccc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C18H16FN5O/c1-12-3-2-4-15(20-12)17-22-21-16-11-23(9-10-24(16)17)18(25)13-5-7-14(19)8-6-13/h2-8H,9-11H2,1H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system				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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50081400 (CHEMBL3422000 | US10544150, Compound 11) Show SMILES Cc1cccc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C18H16FN5O/c1-12-3-2-4-15(20-12)17-22-21-16-11-23(9-10-24(16)17)18(25)13-5-7-14(19)8-6-13/h2-8H,9-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system				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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50081400 (CHEMBL3422000 | US10544150, Compound 11) Show SMILES Cc1cccc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C18H16FN5O/c1-12-3-2-4-15(20-12)17-22-21-16-11-23(9-10-24(16)17)18(25)13-5-7-14(19)8-6-13/h2-8H,9-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50081400 (CHEMBL3422000 | US10544150, Compound 11) Show SMILES Cc1cccc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C18H16FN5O/c1-12-3-2-4-15(20-12)17-22-21-16-11-23(9-10-24(16)17)18(25)13-5-7-14(19)8-6-13/h2-8H,9-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system				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