Compile Data Set for Download or QSAR

Found 9 hits of ki for monomerid = 50112183   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50112183 (CHEMBL3608684 | US10214533, Compound 1 | US9969738...) Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H13FN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Binding affinity to human recombinant NK3R by radioligand binding assay				ACS Med Chem Lett 6: 736-40 (2015) Article DOI: 10.1021/acsmedchemlett.5b00117 BindingDB Entry DOI: 10.7270/Q2TQ639V
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50112183 (CHEMBL3608684 | US10214533, Compound 1 | US9969738...) Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H13FN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description NK-2/NK-3: The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 recep...				J Med Chem 52: 1935-42 (2009) BindingDB Entry DOI: 10.7270/Q2N58PQZ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50112183 (CHEMBL3608684 | US10214533, Compound 1 | US9969738...) Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H13FN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	140	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 compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...				US Patent US10214533 (2019) BindingDB Entry DOI: 10.7270/Q21J9D35
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50112183 (CHEMBL3608684 | US10214533, Compound 1 | US9969738...) Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H13FN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description NK-2/NK-3: The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 recep...				J Med Chem 52: 1935-42 (2009) BindingDB Entry DOI: 10.7270/Q2N58PQZ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Rattus norvegicus)	BDBM50112183 (CHEMBL3608684 | US10214533, Compound 1 | US9969738...) Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H13FN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Binding affinity to rat NK3R				ACS Med Chem Lett 6: 736-40 (2015) Article DOI: 10.1021/acsmedchemlett.5b00117 BindingDB Entry DOI: 10.7270/Q2TQ639V
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50112183 (CHEMBL3608684 | US10214533, Compound 1 | US9969738...) Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H13FN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
OGEDA SA US Patent					Assay Description The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...				US Patent US10214533 (2019) BindingDB Entry DOI: 10.7270/Q21J9D35
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50112183 (CHEMBL3608684 | US10214533, Compound 1 | US9969738...) Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H13FN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description NK-2/NK-3: The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 recep...				J Med Chem 52: 1935-42 (2009) BindingDB Entry DOI: 10.7270/Q2N58PQZ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50112183 (CHEMBL3608684 | US10214533, Compound 1 | US9969738...) Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H13FN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
OGEDA SA US Patent					Assay Description The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...				US Patent US10214533 (2019) BindingDB Entry DOI: 10.7270/Q21J9D35
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50112183 (CHEMBL3608684 | US10214533, Compound 1 | US9969738...) Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H13FN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description NK-1: The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. ...				J Med Chem 52: 1935-42 (2009) BindingDB Entry DOI: 10.7270/Q2N58PQZ
					More data for this Ligand-Target Pair