Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50041953   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50419334 (CHEMBL1911965 | CHEMBL1911967) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CNC(=O)C1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-19(31)5-6-20(15)21-11-24(22-12-39-26(42)23(22)14-41)38-13-25(21)40(4)27(43)28(2,3)16-8-17(29(32,33)34)10-18(9-16)30(35,36)37/h5-11,13,22-23,41H,12,14H2,1-4H3,(H,39,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium l...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50419337 (CHEMBL1911968) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CN(C)C(=O)C1CO Show InChI InChI=1S/C31H30F7N3O3/c1-16-8-20(32)6-7-21(16)22-12-25(23-14-40(4)27(43)24(23)15-42)39-13-26(22)41(5)28(44)29(2,3)17-9-18(30(33,34)35)11-19(10-17)31(36,37)38/h6-13,23-24,42H,14-15H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium l...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50419332 (CHEMBL1911964) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1NC(=O)CC1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-20(31)5-6-21(15)22-12-23(26-16(14-41)8-25(42)39-26)38-13-24(22)40(4)27(43)28(2,3)17-9-18(29(32,33)34)11-19(10-17)30(35,36)37/h5-7,9-13,16,26,41H,8,14H2,1-4H3,(H,39,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium l...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50419333 (CHEMBL1911970) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CC(=O)NC1(CO)CO Show InChI InChI=1S/C31H30F7N3O4/c1-16-7-20(32)5-6-21(16)22-11-24(23-12-26(44)40-29(23,14-42)15-43)39-13-25(22)41(4)27(45)28(2,3)17-8-18(30(33,34)35)10-19(9-17)31(36,37)38/h5-11,13,23,42-43H,12,14-15H2,1-4H3,(H,40,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium l...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50419334 (CHEMBL1911965 | CHEMBL1911967) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CNC(=O)C1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-19(31)5-6-20(15)21-11-24(22-12-39-26(42)23(22)14-41)38-13-25(21)40(4)27(43)28(2,3)16-8-17(29(32,33)34)10-18(9-16)30(35,36)37/h5-11,13,22-23,41H,12,14H2,1-4H3,(H,39,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium l...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50419331 (CHEMBL1911969) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CC(=O)NC1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-19(31)5-6-20(15)21-11-23(22-12-26(42)39-24(22)14-41)38-13-25(21)40(4)27(43)28(2,3)16-8-17(29(32,33)34)10-18(9-16)30(35,36)37/h5-11,13,22,24,41H,12,14H2,1-4H3,(H,39,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium l...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50419332 (CHEMBL1911964) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1NC(=O)CC1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-20(31)5-6-21(15)22-12-23(26-16(14-41)8-25(42)39-26)38-13-24(22)40(4)27(43)28(2,3)17-9-18(29(32,33)34)11-19(10-17)30(35,36)37/h5-7,9-13,16,26,41H,8,14H2,1-4H3,(H,39,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium l...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50419334 (CHEMBL1911965 | CHEMBL1911967) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CNC(=O)C1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-19(31)5-6-20(15)21-11-24(22-12-39-26(42)23(22)14-41)38-13-25(21)40(4)27(43)28(2,3)16-8-17(29(32,33)34)10-18(9-16)30(35,36)37/h5-11,13,22-23,41H,12,14H2,1-4H3,(H,39,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium l...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50419331 (CHEMBL1911969) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CC(=O)NC1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-19(31)5-6-20(15)21-11-23(22-12-26(42)39-24(22)14-41)38-13-25(21)40(4)27(43)28(2,3)16-8-17(29(32,33)34)10-18(9-16)30(35,36)37/h5-11,13,22,24,41H,12,14H2,1-4H3,(H,39,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium l...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50419332 (CHEMBL1911964) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1NC(=O)CC1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-20(31)5-6-21(15)22-12-23(26-16(14-41)8-25(42)39-26)38-13-24(22)40(4)27(43)28(2,3)17-9-18(29(32,33)34)11-19(10-17)30(35,36)37/h5-7,9-13,16,26,41H,8,14H2,1-4H3,(H,39,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium l...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50419332 (CHEMBL1911964) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1NC(=O)CC1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-20(31)5-6-21(15)22-12-23(26-16(14-41)8-25(42)39-26)38-13-24(22)40(4)27(43)28(2,3)17-9-18(29(32,33)34)11-19(10-17)30(35,36)37/h5-7,9-13,16,26,41H,8,14H2,1-4H3,(H,39,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium l...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419337 (CHEMBL1911968) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CN(C)C(=O)C1CO Show InChI InChI=1S/C31H30F7N3O3/c1-16-8-20(32)6-7-21(16)22-12-25(23-14-40(4)27(43)24(23)15-42)39-13-26(22)41(5)28(44)29(2,3)17-9-18(30(33,34)35)11-19(10-17)31(36,37)38/h6-13,23-24,42H,14-15H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419334 (CHEMBL1911965 | CHEMBL1911967) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CNC(=O)C1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-19(31)5-6-20(15)21-11-24(22-12-39-26(42)23(22)14-41)38-13-25(21)40(4)27(43)28(2,3)16-8-17(29(32,33)34)10-18(9-16)30(35,36)37/h5-11,13,22-23,41H,12,14H2,1-4H3,(H,39,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419331 (CHEMBL1911969) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CC(=O)NC1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-19(31)5-6-20(15)21-11-23(22-12-26(42)39-24(22)14-41)38-13-25(21)40(4)27(43)28(2,3)16-8-17(29(32,33)34)10-18(9-16)30(35,36)37/h5-11,13,22,24,41H,12,14H2,1-4H3,(H,39,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419332 (CHEMBL1911964) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1NC(=O)CC1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-20(31)5-6-21(15)22-12-23(26-16(14-41)8-25(42)39-26)38-13-24(22)40(4)27(43)28(2,3)17-9-18(29(32,33)34)11-19(10-17)30(35,36)37/h5-7,9-13,16,26,41H,8,14H2,1-4H3,(H,39,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419333 (CHEMBL1911970) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CC(=O)NC1(CO)CO Show InChI InChI=1S/C31H30F7N3O4/c1-16-7-20(32)5-6-21(16)22-11-24(23-12-26(44)40-29(23,14-42)15-43)39-13-25(22)41(4)27(45)28(2,3)17-8-18(30(33,34)35)10-19(9-17)31(36,37)38/h5-11,13,23,42-43H,12,14-15H2,1-4H3,(H,40,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419333 (CHEMBL1911970) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CC(=O)NC1(CO)CO Show InChI InChI=1S/C31H30F7N3O4/c1-16-7-20(32)5-6-21(16)22-11-24(23-12-26(44)40-29(23,14-42)15-43)39-13-25(22)41(4)27(45)28(2,3)17-8-18(30(33,34)35)10-19(9-17)31(36,37)38/h5-11,13,23,42-43H,12,14-15H2,1-4H3,(H,40,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419334 (CHEMBL1911965 | CHEMBL1911967) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CNC(=O)C1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-19(31)5-6-20(15)21-11-24(22-12-39-26(42)23(22)14-41)38-13-25(21)40(4)27(43)28(2,3)16-8-17(29(32,33)34)10-18(9-16)30(35,36)37/h5-11,13,22-23,41H,12,14H2,1-4H3,(H,39,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419331 (CHEMBL1911969) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CC(=O)NC1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-19(31)5-6-20(15)21-11-23(22-12-26(42)39-24(22)14-41)38-13-25(21)40(4)27(43)28(2,3)16-8-17(29(32,33)34)10-18(9-16)30(35,36)37/h5-11,13,22,24,41H,12,14H2,1-4H3,(H,39,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419331 (CHEMBL1911969) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CC(=O)NC1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-19(31)5-6-20(15)21-11-23(22-12-26(42)39-24(22)14-41)38-13-25(21)40(4)27(43)28(2,3)16-8-17(29(32,33)34)10-18(9-16)30(35,36)37/h5-11,13,22,24,41H,12,14H2,1-4H3,(H,39,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419332 (CHEMBL1911964) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1NC(=O)CC1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-20(31)5-6-21(15)22-12-23(26-16(14-41)8-25(42)39-26)38-13-24(22)40(4)27(43)28(2,3)17-9-18(29(32,33)34)11-19(10-17)30(35,36)37/h5-7,9-13,16,26,41H,8,14H2,1-4H3,(H,39,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419336 (CHEMBL1911966) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CNC(=O)C1 Show InChI InChI=1S/C29H26F7N3O2/c1-15-7-20(30)5-6-21(15)22-12-23(16-8-25(40)38-13-16)37-14-24(22)39(4)26(41)27(2,3)17-9-18(28(31,32)33)11-19(10-17)29(34,35)36/h5-7,9-12,14,16H,8,13H2,1-4H3,(H,38,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419332 (CHEMBL1911964) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1NC(=O)CC1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-20(31)5-6-21(15)22-12-23(26-16(14-41)8-25(42)39-26)38-13-24(22)40(4)27(43)28(2,3)17-9-18(29(32,33)34)11-19(10-17)30(35,36)37/h5-7,9-13,16,26,41H,8,14H2,1-4H3,(H,39,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419334 (CHEMBL1911965 | CHEMBL1911967) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CNC(=O)C1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-19(31)5-6-20(15)21-11-24(22-12-39-26(42)23(22)14-41)38-13-25(21)40(4)27(43)28(2,3)16-8-17(29(32,33)34)10-18(9-16)30(35,36)37/h5-11,13,22-23,41H,12,14H2,1-4H3,(H,39,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419332 (CHEMBL1911964) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1NC(=O)CC1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-20(31)5-6-21(15)22-12-23(26-16(14-41)8-25(42)39-26)38-13-24(22)40(4)27(43)28(2,3)17-9-18(29(32,33)34)11-19(10-17)30(35,36)37/h5-7,9-13,16,26,41H,8,14H2,1-4H3,(H,39,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419333 (CHEMBL1911970) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CC(=O)NC1(CO)CO Show InChI InChI=1S/C31H30F7N3O4/c1-16-7-20(32)5-6-21(16)22-11-24(23-12-26(44)40-29(23,14-42)15-43)39-13-25(22)41(4)27(45)28(2,3)17-8-18(30(33,34)35)10-19(9-17)31(36,37)38/h5-11,13,23,42-43H,12,14-15H2,1-4H3,(H,40,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50419331 (CHEMBL1911969) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CC(=O)NC1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-19(31)5-6-20(15)21-11-23(22-12-26(42)39-24(22)14-41)38-13-25(21)40(4)27(43)28(2,3)16-8-17(29(32,33)34)10-18(9-16)30(35,36)37/h5-11,13,22,24,41H,12,14H2,1-4H3,(H,39,42)	PDB 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
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by ...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair