Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM251918'   

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))	BDBM251918 (US10065961, Compound 17 | US10683295, Compound 17 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)N(C)C)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H22N6OS2/c1-14-19-24-25-20(17-13-31-22(23-17)26(2)3)28(19)11-10-27(14)21(29)16-8-6-15(7-9-16)18-5-4-12-30-18/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description NK3: 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 vit...				US Patent US10941151 (2021) BindingDB Entry DOI: 10.7270/Q2PC35G3
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM251918 (US10065961, Compound 17 | US10683295, Compound 17 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)N(C)C)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H22N6OS2/c1-14-19-24-25-20(17-13-31-22(23-17)26(2)3)28(19)11-10-27(14)21(29)16-8-6-15(7-9-16)18-5-4-12-30-18/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Euroscreen S.A. 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 US9475814 (2016) BindingDB Entry DOI: 10.7270/Q2B8571Q
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM251918 (US10065961, Compound 17 | US10683295, Compound 17 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)N(C)C)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H22N6OS2/c1-14-19-24-25-20(17-13-31-22(23-17)26(2)3)28(19)11-10-27(14)21(29)16-8-6-15(7-9-16)18-5-4-12-30-18/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA. US Patent					Assay Description The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by ad...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM251918 (US10065961, Compound 17 | US10683295, Compound 17 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)N(C)C)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H22N6OS2/c1-14-19-24-25-20(17-13-31-22(23-17)26(2)3)28(19)11-10-27(14)21(29)16-8-6-15(7-9-16)18-5-4-12-30-18/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	7.4	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 US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM251918 (US10065961, Compound 17 | US10683295, Compound 17 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)N(C)C)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H22N6OS2/c1-14-19-24-25-20(17-13-31-22(23-17)26(2)3)28(19)11-10-27(14)21(29)16-8-6-15(7-9-16)18-5-4-12-30-18/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description NK3: 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 vit...				US Patent US10941151 (2021) BindingDB Entry DOI: 10.7270/Q2PC35G3
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM251918 (US10065961, Compound 17 | US10683295, Compound 17 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)N(C)C)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H22N6OS2/c1-14-19-24-25-20(17-13-31-22(23-17)26(2)3)28(19)11-10-27(14)21(29)16-8-6-15(7-9-16)18-5-4-12-30-18/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description NK3: 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 vit...				US Patent US10683295 (2020) BindingDB Entry DOI: 10.7270/Q2S75KC1
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM251918 (US10065961, Compound 17 | US10683295, Compound 17 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)N(C)C)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H22N6OS2/c1-14-19-24-25-20(17-13-31-22(23-17)26(2)3)28(19)11-10-27(14)21(29)16-8-6-15(7-9-16)18-5-4-12-30-18/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description NK3: 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 vit...				US Patent US10683295 (2020) BindingDB Entry DOI: 10.7270/Q2S75KC1
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM251918 (US10065961, Compound 17 | US10683295, Compound 17 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)N(C)C)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H22N6OS2/c1-14-19-24-25-20(17-13-31-22(23-17)26(2)3)28(19)11-10-27(14)21(29)16-8-6-15(7-9-16)18-5-4-12-30-18/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen S.A. US Patent					Assay Description Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...				US Patent US9475814 (2016) BindingDB Entry DOI: 10.7270/Q2B8571Q
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM251918 (US10065961, Compound 17 | US10683295, Compound 17 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)N(C)C)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H22N6OS2/c1-14-19-24-25-20(17-13-31-22(23-17)26(2)3)28(19)11-10-27(14)21(29)16-8-6-15(7-9-16)18-5-4-12-30-18/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA. US Patent					Assay Description The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by ad...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair