Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with all data for entry = 487   

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))	BDBM251923 (BDBM272562 | US10683295, Compound 25 | US10941151,...) Show SMILES CC(C)c1nsc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H22N6OS2/c1-13(2)18-23-21(31-26-18)20-25-24-19-14(3)27(10-11-28(19)20)22(29)16-8-6-15(7-9-16)17-5-4-12-30-17/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	3	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))	BDBM50081196 (CHEMBL3422015 | US10065961, Compound 13 | US106832...) Show SMILES CC(C)c1nc(co1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C23H23N5O2S/c1-14(2)22-24-18(13-30-22)21-26-25-20-15(3)27(10-11-28(20)21)23(29)17-8-6-16(7-9-17)19-5-4-12-31-19/h4-9,12-15H,10-11H2,1-3H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3	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))	BDBM251909 (US10065961, Compound 7 | US10683295, Compound 7 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C=C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H19N5OS2/c1-3-19-23-17(13-30-19)21-25-24-20-14(2)26(10-11-27(20)21)22(28)16-8-6-15(7-9-16)18-5-4-12-29-18/h3-9,12-14H,1,10-11H2,2H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	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))	BDBM251907 (US10065961, Compound 5 | US10683295, Compound 5 | ...) Show SMILES CCc1nc(cs1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H21N5OS2/c1-3-19-23-17(13-30-19)21-25-24-20-14(2)26(10-11-27(20)21)22(28)16-8-6-15(7-9-16)18-5-4-12-29-18/h4-9,12-14H,3,10-11H2,1-2H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	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))	BDBM50081399 (CHEMBL3422016 | US10065961, Compound 19 | US106832...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)cs1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C21H19N5OS2/c1-13-12-29-20(22-13)19-24-23-18-14(2)25(9-10-26(18)19)21(27)16-7-5-15(6-8-16)17-4-3-11-28-17/h3-8,11-12,14H,9-10H2,1-2H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	6	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 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))	BDBM251910 (US10065961, Compound 8 | US10683295, Compound 8 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C=C)n1)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C24H21N5OS/c1-3-21-25-20(15-31-21)23-27-26-22-16(2)28(13-14-29(22)23)24(30)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h3-12,15-16H,1,13-14H2,2H3/t16-/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))	BDBM50081293 (CHEMBL3422007 | US10065961, Compound 30 | US106832...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C23H21N5OS/c1-15-5-3-6-19(24-15)22-26-25-21-16(2)27(12-13-28(21)22)23(29)18-10-8-17(9-11-18)20-7-4-14-30-20/h3-11,14,16H,12-13H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	10	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))	BDBM50081293 (CHEMBL3422007 | US10065961, Compound 30 | US106832...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C23H21N5OS/c1-15-5-3-6-19(24-15)22-26-25-21-16(2)27(12-13-28(21)22)23(29)18-10-8-17(9-11-18)20-7-4-14-30-20/h3-11,14,16H,12-13H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	10	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))	BDBM251908 (US10065961, Compound 6 | US10683295, Compound 6 | ...) Show SMILES CCc1nc(cs1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C24H23N5OS/c1-3-21-25-20(15-31-21)23-27-26-22-16(2)28(13-14-29(22)23)24(30)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15-16H,3,13-14H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	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))	BDBM251916 (US10065961, Compound 15 | US10683295, Compound 15 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1coc(n1)C1CC1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C23H21N5O2S/c1-14-20-25-26-21(18-13-30-22(24-18)16-6-7-16)28(20)11-10-27(14)23(29)17-8-4-15(5-9-17)19-3-2-12-31-19/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	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))	BDBM251920 (US10065961, Compound 20 | US10683295, Compound 20 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)cs1)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C23H21N5OS/c1-15-14-30-22(24-15)21-26-25-20-16(2)27(12-13-28(20)21)23(29)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14,16H,12-13H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	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))	BDBM50081195 (CHEMBL3422010 | US10065961, Compound 1 | US1068329...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	16	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))	BDBM50081195 (CHEMBL3422010 | US10065961, Compound 1 | US1068329...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	16	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))	BDBM251911 (US10065961, Compound 9 | US10683295, Compound 9 | ...) Show SMILES C=Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C21H17N5OS2/c1-2-19-22-16(13-29-19)20-24-23-18-12-25(9-10-26(18)20)21(27)15-7-5-14(6-8-15)17-4-3-11-28-17/h2-8,11,13H,1,9-10,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	19	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))	BDBM251919 (US10065961, Compound 18 | US10683295, Compound 18 ...) Show SMILES CC(C)c1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C22H21N5OS2/c1-14(2)21-23-17(13-30-21)20-25-24-19-12-26(9-10-27(19)20)22(28)16-7-5-15(6-8-16)18-4-3-11-29-18/h3-8,11,13-14H,9-10,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20	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))	BDBM251922 (US10065961, Compound 22 | US10683295, Compound 22 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)c(C)s1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H21N5OS2/c1-13-15(3)30-21(23-13)20-25-24-19-14(2)26(10-11-27(19)20)22(28)17-8-6-16(7-9-17)18-5-4-12-29-18/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	21	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))	BDBM251928 (US10065961, Compound 31 | US10683295, Compound 31 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(O)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H19N5O2S/c1-14-20-24-25-21(17-4-2-6-19(28)23-17)27(20)12-11-26(14)22(29)16-9-7-15(8-10-16)18-5-3-13-30-18/h2-10,13-14H,11-12H2,1H3,(H,23,28)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	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))	BDBM251928 (US10065961, Compound 31 | US10683295, Compound 31 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(O)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H19N5O2S/c1-14-20-24-25-21(17-4-2-6-19(28)23-17)27(20)12-11-26(14)22(29)16-9-7-15(8-10-16)18-5-3-13-30-18/h2-10,13-14H,11-12H2,1H3,(H,23,28)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	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))	BDBM251927 (US10065961, Compound 29 | US10683295, Compound 29 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H23N5O/c1-17-7-6-10-22(26-17)24-28-27-23-18(2)29(15-16-30(23)24)25(31)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-14,18H,15-16H2,1-2H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23	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))	BDBM251905 (US10065961, Compound 2 | US10683295, Compound 2 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C23H21N5OS/c1-15-21-25-26-22(20-14-30-16(2)24-20)28(21)13-12-27(15)23(29)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	26	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))	BDBM50081197 (CHEMBL3422017 | US10065961, Compound 23 | US106832...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C20H18N6O2S/c1-12-17-22-23-18(19-21-13(2)24-28-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-29-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	29	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))	BDBM50081197 (CHEMBL3422017 | US10065961, Compound 23 | US106832...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C20H18N6O2S/c1-12-17-22-23-18(19-21-13(2)24-28-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-29-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	29	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))	BDBM251917 (US10065961, Compound 16 | US10941151, Compound 16 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)sc1C)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H21N5OS2/c1-13-20-24-25-21(19-14(2)30-15(3)23-19)27(20)11-10-26(13)22(28)17-8-6-16(7-9-17)18-5-4-12-29-18/h4-9,12-13H,10-11H2,1-3H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	32	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))	BDBM251912 (US10065961, Compound 10 | US10683295, Compound 10 ...) Show SMILES C=Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H19N5OS/c1-2-21-24-19(15-30-21)22-26-25-20-14-27(12-13-28(20)22)23(29)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h2-11,15H,1,12-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	36	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))	BDBM251921 (US10065961, Compound 21 | US10683295, Compound 21 ...) Show SMILES Cc1csc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H19N5OS/c1-15-14-29-21(23-15)20-25-24-19-13-26(11-12-27(19)20)22(28)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	38	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))	BDBM251915 (US10065961, Compound 14 | US10683295, Compound 14 ...) Show SMILES CC(C)c1nc(co1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C22H21N5O2S/c1-14(2)21-23-17(13-29-21)20-25-24-19-12-26(9-10-27(19)20)22(28)16-7-5-15(6-8-16)18-4-3-11-30-18/h3-8,11,13-14H,9-10,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	42	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))	BDBM251913 (US10065961, Compound 11 | US10683295, Compound 11 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1coc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C21H19N5O2S/c1-13-19-23-24-20(17-12-28-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-29-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44	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))	BDBM251913 (US10065961, Compound 11 | US10683295, Compound 11 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1coc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C21H19N5O2S/c1-13-19-23-24-20(17-12-28-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-29-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44	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))	BDBM272564 ((R)-4-methyl-2-(8-methyl- 5,6,7,8-tetrahydro- [1,2...) Show SMILES C[C@H]1NCCn2c1nnc2-c1nc(C)co1 |r| Show InChI InChI=1S/C10H13N5O/c1-6-5-16-10(12-6)9-14-13-8-7(2)11-3-4-15(8)9/h5,7,11H,3-4H2,1-2H3/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	51	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))	BDBM251906 (US10065961, Compound 4 | US10683295, Compound 4 | ...) Show SMILES FC(F)(F)c1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H14F3N5OS2/c21-20(22,23)19-24-14(11-31-19)17-26-25-16-10-27(7-8-28(16)17)18(29)13-5-3-12(4-6-13)15-2-1-9-30-15/h1-6,9,11H,7-8,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	56	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))	BDBM251926 (US10065961, Compound 28 | US10683295, Compound 28 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1cc(C)nn1C)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H22N6OS/c1-14-13-18(26(3)25-14)21-24-23-20-15(2)27(10-11-28(20)21)22(29)17-8-6-16(7-9-17)19-5-4-12-30-19/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	68	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))	BDBM251914 (US10065961, Compound 12 | US10683295, Compound 12 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1coc(C)n1)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C23H21N5O2/c1-15-21-25-26-22(20-14-30-16(2)24-20)28(21)13-12-27(15)23(29)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	70	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))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	83	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))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	83	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
Substance-K receptor (Homo sapiens (Human))	BDBM50081293 (CHEMBL3422007 | US10065961, Compound 30 | US106832...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C23H21N5OS/c1-15-5-3-6-19(24-15)22-26-25-21-16(2)27(12-13-28(21)22)23(29)18-10-8-17(9-11-18)20-7-4-14-30-20/h3-11,14,16H,12-13H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.00E+3	-31.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Ogeda SA. US Patent					Assay Description The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Substance-P 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.06E+3	-29.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Ogeda SA. US Patent					Assay Description The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Substance-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	9.95E+3	-28.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Ogeda SA. US Patent					Assay Description The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM251928 (US10065961, Compound 31 | US10683295, Compound 31 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(O)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H19N5O2S/c1-14-20-24-25-21(17-4-2-6-19(28)23-17)27(20)12-11-26(14)22(29)16-9-7-15(8-10-16)18-5-3-13-30-18/h2-10,13-14H,11-12H2,1H3,(H,23,28)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	>-28.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Ogeda SA. US Patent					Assay Description The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM251928 (US10065961, Compound 31 | US10683295, Compound 31 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(O)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C22H19N5O2S/c1-14-20-24-25-21(17-4-2-6-19(28)23-17)27(20)12-11-26(14)22(29)16-9-7-15(8-10-16)18-5-3-13-30-18/h2-10,13-14H,11-12H2,1H3,(H,23,28)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	>-28.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Ogeda SA. US Patent					Assay Description The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50081197 (CHEMBL3422017 | US10065961, Compound 23 | US106832...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C20H18N6O2S/c1-12-17-22-23-18(19-21-13(2)24-28-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-29-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	>-28.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Ogeda SA. US Patent					Assay Description The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50081197 (CHEMBL3422017 | US10065961, Compound 23 | US106832...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C20H18N6O2S/c1-12-17-22-23-18(19-21-13(2)24-28-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-29-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	>-28.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Ogeda SA. US Patent					Assay Description The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM251913 (US10065961, Compound 11 | US10683295, Compound 11 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1coc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C21H19N5O2S/c1-13-19-23-24-20(17-12-28-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-29-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	>-28.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Ogeda SA. US Patent					Assay Description The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM251913 (US10065961, Compound 11 | US10683295, Compound 11 ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1coc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C21H19N5O2S/c1-13-19-23-24-20(17-12-28-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-29-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	>-28.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Ogeda SA. US Patent					Assay Description The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	>-28.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Ogeda SA. US Patent					Assay Description The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	>-28.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Ogeda SA. US Patent					Assay Description The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50081195 (CHEMBL3422010 | US10065961, Compound 1 | US1068329...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	1.27E+4	-27.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Ogeda SA. US Patent					Assay Description The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50081195 (CHEMBL3422010 | US10065961, Compound 1 | US1068329...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	1.40E+4	-27.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Ogeda SA. US Patent					Assay Description The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50081293 (CHEMBL3422007 | US10065961, Compound 30 | US106832...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C23H21N5OS/c1-15-5-3-6-19(24-15)22-26-25-21-16(2)27(12-13-28(21)22)23(29)18-10-8-17(9-11-18)20-7-4-14-30-20/h3-11,14,16H,12-13H2,1-2H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.72E+4	-27.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Ogeda SA. US Patent					Assay Description The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair

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