Compile Data Set for Download or QSAR

Found 352 hits with Last Name = 'sugiyama' and Initial = 'h'   

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
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50456444 (CHEMBL3734823) Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1| Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of VMA intein chitin binding domain-fused p300 HAT domain (1287 to 1652 residues) (unknown origin) expressed in Escherichia coli BL21(RIL)...				Eur J Med Chem 138: 320-327 (2017) Article DOI: 10.1016/j.ejmech.2017.06.037 BindingDB Entry DOI: 10.7270/Q2ZW1PHN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364189 (CHEMBL1951813) Show SMILES C[C@H](N(C)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H26F7N3O3/c1-13-8-18(27)4-5-19(13)21-12-36(24(39)22(34)37)7-6-20(21)23(38)35(3)14(2)15-9-16(25(28,29)30)11-17(10-15)26(31,32)33/h4-5,8-11,14,20-21H,6-7,12H2,1-3H3,(H2,34,37)/t14-,20-,21+/m0/s1	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	0.0170	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364190 (CHEMBL1951810) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O |r| Show InChI InChI=1S/C25H24F7N3O3/c1-13-7-17(26)3-4-18(13)20-12-35(23(38)21(33)36)6-5-19(20)22(37)34(2)11-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h3-4,7-10,19-20H,5-6,11-12H2,1-2H3,(H2,33,36)/t19-,20+/m0/s1	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	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364190 (CHEMBL1951810) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O |r| Show InChI InChI=1S/C25H24F7N3O3/c1-13-7-17(26)3-4-18(13)20-12-35(23(38)21(33)36)6-5-19(20)22(37)34(2)11-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h3-4,7-10,19-20H,5-6,11-12H2,1-2H3,(H2,33,36)/t19-,20+/m0/s1	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	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM47085 (US8592454, 71b) Show SMILES CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,@:16| Show InChI InChI=1S/C29H31F7N4O3/c1-17(41)39-10-8-19(9-11-39)26(42)40-15-24(18-4-6-22(30)7-5-18)25(16-40)38(3)27(43)37(2)23-13-20(28(31,32)33)12-21(14-23)29(34,35)36/h4-7,12-14,19,24-25H,8-11,15-16H2,1-3H3/t24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligand receptor binding inhibitory assay using human NK receptor.				US Patent US8592454 (2013) BindingDB Entry DOI: 10.7270/Q2XD10B0
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM106978 (US8592454, 176) Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C27H31Cl2FN4O3/c1-17(35)33-10-8-19(9-11-33)26(36)34-15-24(18-4-6-22(30)7-5-18)25(16-34)32(3)27(37)31(2)23-13-20(28)12-21(29)14-23/h4-7,12-14,19,24-25H,8-11,15-16H2,1-3H3/t24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0290	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligand receptor binding inhibitory assay using human NK receptor.				US Patent US8592454 (2013) BindingDB Entry DOI: 10.7270/Q2XD10B0
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM106983 (US8592454, 420) Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H30F7N5O4S/c1-35(21-13-18(26(29,30)31)12-19(14-21)27(32,33)34)24(40)36(2)23-16-38(15-22(23)17-4-6-20(28)7-5-17)25(41)37-8-10-39(11-9-37)44(3,42)43/h4-7,12-14,22-23H,8-11,15-16H2,1-3H3/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligand receptor binding inhibitory assay using human NK receptor.				US Patent US8592454 (2013) BindingDB Entry DOI: 10.7270/Q2XD10B0
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM106974 (US8592454, 25) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C30H32Cl2F6N4O3/c1-17(43)41-9-6-18(7-10-41)27(44)42-11-8-26(23(16-42)19-4-5-24(31)25(32)12-19)40(3)28(45)39(2)22-14-20(29(33,34)35)13-21(15-22)30(36,37)38/h4-5,12-15,18,23,26H,6-11,16H2,1-3H3/t23-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0310	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligand receptor binding inhibitory assay using human NK receptor.				US Patent US8592454 (2013) BindingDB Entry DOI: 10.7270/Q2XD10B0
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM106979 (US8592454, 192) Show SMILES CN([C@@H]1CN(CC1c1ccc(F)cn1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H30F7N5O3/c1-16(41)39-8-6-17(7-9-39)25(42)40-14-22(23-5-4-20(29)13-36-23)24(15-40)38(3)26(43)37(2)21-11-18(27(30,31)32)10-19(12-21)28(33,34)35/h4-5,10-13,17,22,24H,6-9,14-15H2,1-3H3/t22?,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0320	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligand receptor binding inhibitory assay using human NK receptor.				US Patent US8592454 (2013) BindingDB Entry DOI: 10.7270/Q2XD10B0
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364202 (CHEMBL1951626) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccccc1C)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C31H35F6N3O3/c1-19-6-4-5-7-25(19)27-18-40(28(42)22-8-11-39(12-9-22)20(2)41)13-10-26(27)29(43)38(3)17-21-14-23(30(32,33)34)16-24(15-21)31(35,36)37/h4-7,14-16,22,26-27H,8-13,17-18H2,1-3H3/t26-,27+/m0/s1	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	0.0320	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364195 (CHEMBL1951633) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(N)=O |r| Show InChI InChI=1S/C24H24F7N3O2/c1-13-7-17(25)3-4-18(13)20-12-34(22(32)36)6-5-19(20)21(35)33(2)11-14-8-15(23(26,27)28)10-16(9-14)24(29,30)31/h3-4,7-10,19-20H,5-6,11-12H2,1-2H3,(H2,32,36)/t19-,20+/m0/s1	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	0.0350	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM106982 (US8592454, 378) Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)NC1CCOCC1)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H29F7N4O3/c1-36(21-12-17(26(29,30)31)11-18(13-21)27(32,33)34)25(40)37(2)23-15-38(24(39)35-20-7-9-41-10-8-20)14-22(23)16-3-5-19(28)6-4-16/h3-6,11-13,20,22-23H,7-10,14-15H2,1-2H3,(H,35,39)/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0390	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligand receptor binding inhibitory assay using human NK receptor.				US Patent US8592454 (2013) BindingDB Entry DOI: 10.7270/Q2XD10B0
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364197 (CHEMBL1951631) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)CNC(C)=O |r| Show InChI InChI=1S/C27H28F7N3O3/c1-15-8-20(28)4-5-21(15)23-14-37(24(39)12-35-16(2)38)7-6-22(23)25(40)36(3)13-17-9-18(26(29,30)31)11-19(10-17)27(32,33)34/h4-5,8-11,22-23H,6-7,12-14H2,1-3H3,(H,35,38)/t22-,23+/m0/s1	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	0.0430	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364192 (CHEMBL1951811) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(=O)NO |r| Show InChI InChI=1S/C25H24F7N3O4/c1-13-7-17(26)3-4-18(13)20-12-35(23(38)21(36)33-39)6-5-19(20)22(37)34(2)11-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h3-4,7-10,19-20,39H,5-6,11-12H2,1-2H3,(H,33,36)/t19-,20+/m0/s1	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	0.0460	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364198 (CHEMBL1951630) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C31H34F7N3O3/c1-18-12-24(32)4-5-25(18)27-17-41(28(43)21-6-9-40(10-7-21)19(2)42)11-8-26(27)29(44)39(3)16-20-13-22(30(33,34)35)15-23(14-20)31(36,37)38/h4-5,12-15,21,26-27H,6-11,16-17H2,1-3H3/t26-,27+/m0/s1	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	0.0470	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364196 (CHEMBL1951632) Show SMILES CNC(=O)N1CC[C@@H]([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H26F7N3O2/c1-14-8-18(26)4-5-19(14)21-13-35(23(37)33-2)7-6-20(21)22(36)34(3)12-15-9-16(24(27,28)29)11-17(10-15)25(30,31)32/h4-5,8-11,20-21H,6-7,12-13H2,1-3H3,(H,33,37)/t20-,21+/m0/s1	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	0.0480	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM106980 (US8592454, 233) Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc(F)cc1)N(C)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,wU:5.4,15.27,wD:8.11,16.19,(-8.61,-2.74,;-7.12,-3.14,;-6.03,-2.05,;-6.43,-.57,;-4.54,-2.45,;-3.45,-1.36,;-3.85,.12,;-2.76,1.21,;-1.28,.81,;-.88,-.67,;-1.97,-1.76,;-.19,1.9,;-.59,3.39,;1.3,1.5,;2.55,2.41,;3.79,1.5,;3.32,.04,;1.78,.04,;4.09,-1.29,;3.32,-2.63,;4.09,-3.96,;5.63,-3.96,;6.4,-5.29,;6.4,-2.63,;5.63,-1.29,;5.33,1.5,;6.1,.17,;6.1,2.84,;5.33,4.17,;7.64,2.84,;8.41,1.5,;8.41,4.17,;7.64,5.51,;8.41,6.84,;9.95,6.84,;10.72,5.51,;9.95,4.17,;12.26,5.51,;13.03,6.84,;13.03,4.17,;13.8,5.51,;7.64,8.17,;8.41,9.51,;6.1,8.17,;6.87,9.51,)| Show InChI InChI=1S/C30H33F7N4O4/c1-39(23-13-19(29(32,33)34)12-20(14-23)30(35,36)37)28(44)40(2)25-16-41(15-24(25)17-4-8-21(31)9-5-17)26(42)18-6-10-22(11-7-18)38-27(43)45-3/h4-5,8-9,12-14,18,22,24-25H,6-7,10-11,15-16H2,1-3H3,(H,38,43)/t18-,22-,24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0490	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligand receptor binding inhibitory assay using human NK receptor.				US Patent US8592454 (2013) BindingDB Entry DOI: 10.7270/Q2XD10B0
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364199 (CHEMBL1951629) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C30H32F7N3O3/c1-18(41)39-10-7-21(8-11-39)27(42)40-12-9-25(26(17-40)20-3-5-24(31)6-4-20)28(43)38(2)16-19-13-22(29(32,33)34)15-23(14-19)30(35,36)37/h3-6,13-15,21,25-26H,7-12,16-17H2,1-2H3/t25-,26+/m0/s1	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	0.0520	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364201 (CHEMBL1951627) Show SMILES CCc1ccccc1[C@H]1CN(CC[C@@H]1C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C32H37F6N3O3/c1-4-22-7-5-6-8-26(22)28-19-41(29(43)23-9-12-40(13-10-23)20(2)42)14-11-27(28)30(44)39(3)18-21-15-24(31(33,34)35)17-25(16-21)32(36,37)38/h5-8,15-17,23,27-28H,4,9-14,18-19H2,1-3H3/t27-,28+/m0/s1	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	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM106981 (US8592454, 308) Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(=O)C(C)(C)O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C31H35F7N4O4/c1-29(2,46)27(44)41-11-9-19(10-12-41)26(43)42-16-24(18-5-7-22(32)8-6-18)25(17-42)40(4)28(45)39(3)23-14-20(30(33,34)35)13-21(15-23)31(36,37)38/h5-8,13-15,19,24-25,46H,9-12,16-17H2,1-4H3/t24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligand receptor binding inhibitory assay using human NK receptor.				US Patent US8592454 (2013) BindingDB Entry DOI: 10.7270/Q2XD10B0
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364194 (CHEMBL1951634) Show SMILES CONC(=O)N1CC[C@@H]([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H26F7N3O3/c1-14-8-18(26)4-5-19(14)21-13-35(23(37)33-38-3)7-6-20(21)22(36)34(2)12-15-9-16(24(27,28)29)11-17(10-15)25(30,31)32/h4-5,8-11,20-21H,6-7,12-13H2,1-3H3,(H,33,37)/t20-,21+/m0/s1	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	0.0730	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM106977 (US8592454, 104) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(F)cc1)C1CCS(=O)(=O)CC1)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H30F7N3O3S/c1-35(22-14-18(26(29,30)31)13-19(15-22)27(32,33)34)25(38)36(2)24-7-10-37(21-8-11-41(39,40)12-9-21)16-23(24)17-3-5-20(28)6-4-17/h3-6,13-15,21,23-24H,7-12,16H2,1-2H3/t23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0730	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligand receptor binding inhibitory assay using human NK receptor.				US Patent US8592454 (2013) BindingDB Entry DOI: 10.7270/Q2XD10B0
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM106976 (US8592454, 66) Show SMILES CN([C@@H]1CN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H30Cl2F6N4O3/c1-16(42)40-8-6-17(7-9-40)26(43)41-14-22(18-4-5-23(30)24(31)10-18)25(15-41)39(3)27(44)38(2)21-12-19(28(32,33)34)11-20(13-21)29(35,36)37/h4-5,10-13,17,22,25H,6-9,14-15H2,1-3H3/t22?,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0750	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligand receptor binding inhibitory assay using human NK receptor.				US Patent US8592454 (2013) BindingDB Entry DOI: 10.7270/Q2XD10B0
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM97478 (US8470816, 91) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H29Cl2F6N3O3/c1-16(41)39-8-5-17(6-9-39)27(43)40-10-7-25(22(15-40)18-3-4-23(30)24(31)13-18)38(2)26(42)19-11-20(28(32,33)34)14-21(12-19)29(35,36)37/h3-4,11-14,17,22,25H,5-10,15H2,1-2H3/t22-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0920	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364207 (CHEMBL1951621) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C30H33F6N3O3/c1-19(40)38-11-8-22(9-12-38)27(41)39-13-10-25(26(18-39)21-6-4-3-5-7-21)28(42)37(2)17-20-14-23(29(31,32)33)16-24(15-20)30(34,35)36/h3-7,14-16,22,25-26H,8-13,17-18H2,1-2H3/t25-,26+/m1/s1	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	0.0980	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364193 (CHEMBL1951635) Show SMILES CNC(=O)C(=O)N1CC[C@@H]([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H26F7N3O3/c1-14-8-18(27)4-5-19(14)21-13-36(24(39)22(37)34-2)7-6-20(21)23(38)35(3)12-15-9-16(25(28,29)30)11-17(10-15)26(31,32)33/h4-5,8-11,20-21H,6-7,12-13H2,1-3H3,(H,34,37)/t20-,21+/m0/s1	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	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM106973 (US8592454, 4) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C30H33F7N4O3/c1-18(42)40-11-8-20(9-12-40)27(43)41-13-10-26(25(17-41)19-4-6-23(31)7-5-19)39(3)28(44)38(2)24-15-21(29(32,33)34)14-22(16-24)30(35,36)37/h4-7,14-16,20,25-26H,8-13,17H2,1-3H3/t25-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligand receptor binding inhibitory assay using human NK receptor.				US Patent US8592454 (2013) BindingDB Entry DOI: 10.7270/Q2XD10B0
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364203 (CHEMBL1951625) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1cccc(C)c1)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C31H35F6N3O3/c1-19-5-4-6-23(13-19)27-18-40(28(42)22-7-10-39(11-8-22)20(2)41)12-9-26(27)29(43)38(3)17-21-14-24(30(32,33)34)16-25(15-21)31(35,36)37/h4-6,13-16,22,26-27H,7-12,17-18H2,1-3H3/t26-,27+/m0/s1	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	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364205 (CHEMBL1951623) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C1=C(CN(CC1)C(=O)C1CCN(CC1)C(C)=O)c1ccccc1 |t:20| Show InChI InChI=1S/C30H31F6N3O3/c1-19(40)38-11-8-22(9-12-38)27(41)39-13-10-25(26(18-39)21-6-4-3-5-7-21)28(42)37(2)17-20-14-23(29(31,32)33)16-24(15-20)30(34,35)36/h3-7,14-16,22H,8-13,17-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.177	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human MMP-9 by fluorometric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01215 BindingDB Entry DOI: 10.7270/Q2Q81HPF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364204 (CHEMBL1951624) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(C)cc1)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C31H35F6N3O3/c1-19-4-6-22(7-5-19)27-18-40(28(42)23-8-11-39(12-9-23)20(2)41)13-10-26(27)29(43)38(3)17-21-14-24(30(32,33)34)16-25(15-21)31(35,36)37/h4-7,14-16,23,26-27H,8-13,17-18H2,1-3H3/t26-,27+/m0/s1	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	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364188 (CHEMBL1951814) Show SMILES C[C@@H](N(C)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H26F7N3O3/c1-13-8-18(27)4-5-19(13)21-12-36(24(39)22(34)37)7-6-20(21)23(38)35(3)14(2)15-9-16(25(28,29)30)11-17(10-15)26(31,32)33/h4-5,8-11,14,20-21H,6-7,12H2,1-3H3,(H2,34,37)/t14-,20+,21-/m1/s1	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364200 (CHEMBL1951628) Show SMILES CC(C)c1ccccc1[C@H]1CN(CC[C@@H]1C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C33H39F6N3O3/c1-20(2)26-7-5-6-8-27(26)29-19-42(30(44)23-9-12-41(13-10-23)21(3)43)14-11-28(29)31(45)40(4)18-22-15-24(32(34,35)36)17-25(16-22)33(37,38)39/h5-8,15-17,20,23,28-29H,9-14,18-19H2,1-4H3/t28-,29+/m0/s1	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	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554205 (CHEMBL4757242) Show SMILES CCCCCN(C)Cc1cc(ccc1NC(=O)c1cc2cc(F)cc(NC)c2[nH]c1=O)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97485 (US8470816, 458) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H30Cl3N3O4/c1-31(26(36)17-2-5-20(28)6-3-17)24-10-13-33(15-21(24)19-4-7-22(29)23(30)14-19)27(37)18-8-11-32(12-9-18)25(35)16-34/h2-7,14,18,21,24,34H,8-13,15-16H2,1H3/t21-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97486 (US8470816, 464) Show SMILES CN([C@@H]1CCN(CC2CCN(CC2)C(C)=O)C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H32Cl3N3O2/c1-18(34)33-13-9-19(10-14-33)16-32-12-11-26(23(17-32)21-5-8-24(29)25(30)15-21)31(2)27(35)20-3-6-22(28)7-4-20/h3-8,15,19,23,26H,9-14,16-17H2,1-2H3/t23-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97489 (US8470816, 632) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H30Cl2F3N3O4/c1-34(26(39)17-2-5-20(6-3-17)28(31,32)33)24-10-13-36(15-21(24)19-4-7-22(29)23(30)14-19)27(40)18-8-11-35(12-9-18)25(38)16-37/h2-7,14,18,21,24,37H,8-13,15-16H2,1H3/t21-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97481 (US8470816, 265) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H30Cl2F3N3O3/c1-17(37)35-12-9-19(10-13-35)27(39)36-14-11-25(22(16-36)20-5-8-23(29)24(30)15-20)34(2)26(38)18-3-6-21(7-4-18)28(31,32)33/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97490 (US8470816, 633) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C27H30BrCl2N3O4/c1-31(26(36)17-2-5-20(28)6-3-17)24-10-13-33(15-21(24)19-4-7-22(29)23(30)14-19)27(37)18-8-11-32(12-9-18)25(35)16-34/h2-7,14,18,21,24,34H,8-13,15-16H2,1H3/t21-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97483 (US8470816, 292) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)C1CC1 |r| Show InChI InChI=1S/C30H35Cl2N3O3/c1-19(36)34-14-11-23(12-15-34)30(38)35-16-13-28(25(18-35)24-9-10-26(31)27(32)17-24)33(2)29(37)22-7-5-21(6-8-22)20-3-4-20/h5-10,17,20,23,25,28H,3-4,11-16,18H2,1-2H3/t25-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554208 (CHEMBL4784687) Show SMILES OC(=O)C(F)(F)F.CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3CNC3CCCCC3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554207 (CHEMBL4758336) Show SMILES Cl.CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3CN(CCO)C3CCCCC3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97479 (US8470816, 251a) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H30Cl3N3O3/c1-17(34)32-12-9-19(10-13-32)27(36)33-14-11-25(22(16-33)20-5-8-23(29)24(30)15-20)31(2)26(35)18-3-6-21(28)7-4-18/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554204 (CHEMBL4743844) Show SMILES CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3CN3CCCCC3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97487 (US8470816, 623) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)C1(O)CC1)C(=O)c1ccc(cc1)N1CCOCC1 |r| Show InChI InChI=1S/C33H40Cl2N4O5/c1-36(30(40)22-2-5-25(6-3-22)37-16-18-44-19-17-37)29-10-15-39(21-26(29)24-4-7-27(34)28(35)20-24)31(41)23-8-13-38(14-9-23)32(42)33(43)11-12-33/h2-7,20,23,26,29,43H,8-19,21H2,1H3/t26-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97491 (US8470816, 635) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C27H29Cl2F3N4O4/c1-34(26(40)22-5-3-18(13-33-22)27(30,31)32)23-8-11-36(14-19(23)17-2-4-20(28)21(29)12-17)25(39)16-6-9-35(10-7-16)24(38)15-37/h2-5,12-13,16,19,23,37H,6-11,14-15H2,1H3/t19-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554200 (CHEMBL4764566) Show SMILES CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-K receptor (Homo sapiens (Human))	BDBM97482 (US8470816, 268) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)N1CCOCC1 |r| Show InChI InChI=1S/C31H38Cl2N4O4/c1-21(38)35-12-9-23(10-13-35)31(40)37-14-11-29(26(20-37)24-5-8-27(32)28(33)19-24)34(2)30(39)22-3-6-25(7-4-22)36-15-17-41-18-16-36/h3-8,19,23,26,29H,9-18,20H2,1-2H3/t26-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.420	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.422	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human MMP-2 by fluorometric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01215 BindingDB Entry DOI: 10.7270/Q2Q81HPF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554197 (CHEMBL4776319) Show SMILES CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3)C(=O)NS(=O)(=O)N(C)C)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair

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