Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'fukazawa' and Initial = 't'   

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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM719 ((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...) Show SMILES CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C35H45N5O6S2/c1-34(2,3)39-32(44)30-35(4,5)48-21-40(30)33(45)29(42)25(17-22-11-8-7-9-12-22)38-31(43)26(20-47-6)37-28(41)19-46-27-14-10-13-23-18-36-16-15-24(23)27/h7-16,18,25-26,29-30,42H,17,19-21H2,1-6H3,(H,37,41)(H,38,43)(H,39,44)/t25-,26-,29-,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.0880	-59.7	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM718 ((4R)-3-[(2S,3S)-3-[(2-ethyl-3-hydroxyphenyl)formam...) Show SMILES CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C |r| Show InChI InChI=1S/C33H39N3O5S/c1-5-24-25(16-11-17-27(24)37)30(39)35-26(18-22-13-7-6-8-14-22)28(38)32(41)36-20-42-33(3,4)29(36)31(40)34-19-23-15-10-9-12-21(23)2/h6-17,26,28-29,37-38H,5,18-20H2,1-4H3,(H,34,40)(H,35,39)/t26-,28-,29+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.160	-58.2	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM717 ((4R)-N-[(2-chlorophenyl)methyl]-3-[(2S,3S)-2-hydro...) Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1Cl |r| Show InChI InChI=1S/C31H34ClN3O5S/c1-19-22(13-9-15-25(19)36)28(38)34-24(16-20-10-5-4-6-11-20)26(37)30(40)35-18-41-31(2,3)27(35)29(39)33-17-21-12-7-8-14-23(21)32/h4-15,24,26-27,36-37H,16-18H2,1-3H3,(H,33,39)(H,34,38)/t24-,26-,27+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.290	-56.6	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) Show SMILES Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C |r| Show InChI InChI=1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.330	-56.3	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM579 ((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...) Show SMILES CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.740	-54.2	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM712 ((4R)-N-tert-butyl-3-[(2S,3S)-3-[2-(2,6-dimethylphe...) Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C30H41N3O5S/c1-19-12-11-13-20(2)25(19)38-17-23(34)31-22(16-21-14-9-8-10-15-21)24(35)28(37)33-18-39-30(6,7)26(33)27(36)32-29(3,4)5/h8-15,22,24,26,35H,16-18H2,1-7H3,(H,31,34)(H,32,36)/t22-,24-,26+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	-52.6	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM715 ((4R)-N-tert-butyl-3-[(2S,3S)-3-[(2-ethyl-3-hydroxy...) Show SMILES CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C29H39N3O5S/c1-7-19-20(14-11-15-22(19)33)25(35)30-21(16-18-12-9-8-10-13-18)23(34)27(37)32-17-38-29(5,6)24(32)26(36)31-28(2,3)4/h8-15,21,23-24,33-34H,7,16-17H2,1-6H3,(H,30,35)(H,31,36)/t21-,23-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.24	-51.4	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM714 ((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(3-hydro...) Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C28H37N3O5S/c1-17-19(13-10-14-21(17)32)24(34)29-20(15-18-11-8-7-9-12-18)22(33)26(36)31-16-37-28(5,6)23(31)25(35)30-27(2,3)4/h7-14,20,22-23,32-33H,15-16H2,1-6H3,(H,29,34)(H,30,35)/t20-,22-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.14	-49.2	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM716 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) Show SMILES Cc1ccccc1CNC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C |r| Show InChI InChI=1S/C30H33N3O5S/c1-19-9-6-7-12-22(19)16-31-29(37)25-17-39-18-33(25)30(38)27(35)24(15-21-10-4-3-5-11-21)32-28(36)23-13-8-14-26(34)20(23)2/h3-14,24-25,27,34-35H,15-18H2,1-2H3,(H,31,37)(H,32,36)/t24-,25-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.91	-47.8	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM708 ((4R)-N-tert-butyl-3-[(2S,3S)-3-[2-(2,6-dimethylphe...) Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C28H37N3O5S/c1-18-10-9-11-19(2)25(18)36-15-23(32)29-21(14-20-12-7-6-8-13-20)24(33)27(35)31-17-37-16-22(31)26(34)30-28(3,4)5/h6-13,21-22,24,33H,14-17H2,1-5H3,(H,29,32)(H,30,34)/t21-,22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21.7	-45.5	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM713 ((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(3-hydro...) Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C26H33N3O5S/c1-16-18(11-8-12-21(16)30)23(32)27-19(13-17-9-6-5-7-10-17)22(31)25(34)29-15-35-14-20(29)24(33)28-26(2,3)4/h5-12,19-20,22,30-31H,13-15H2,1-4H3,(H,27,32)(H,28,33)/t19-,20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24.9	-45.1	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50276045 ((R)-3-Amino-4-(5-chloro-2-fluoro-phenyl)-N-{4-[6-(...) Show SMILES COCCOc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(Cl)ccc1F |r| Show InChI InChI=1S/C25H29ClFN3O5S2/c1-34-8-9-35-19-3-5-21-22(15-19)36-24(29-21)25(6-10-37(32,33)11-7-25)30-23(31)14-18(28)13-16-12-17(26)2-4-20(16)27/h2-5,12,15,18H,6-11,13-14,28H2,1H3,(H,30,31)/t18-/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	0.640	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human Caco2 cells-derived DPP4				Bioorg Med Chem Lett 18: 5435-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.042 BindingDB Entry DOI: 10.7270/Q2QV3MC8
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50403793 (CHEMBL2115415) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCO[C@@](CCN2CCC3(CC2)c2ccccc2C[S@@]3=O)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description The compound was evaluated in vitro for its ability to displace [3H]-SP from Tachykinin receptor 3 of male guinea pig lung membrane				Bioorg Med Chem Lett 10: 1665-8 (2000) BindingDB Entry DOI: 10.7270/Q2QZ297D
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50276047 ((R)-3-Amino-N-{4-[6-(2-morpholin-4-yl-ethoxy)-benz...) Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(OCCN3CCOCC3)cc2s1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C28H33F3N4O5S2/c29-21-17-23(31)22(30)14-18(21)13-19(32)15-26(36)34-28(3-11-42(37,38)12-4-28)27-33-24-2-1-20(16-25(24)41-27)40-10-7-35-5-8-39-9-6-35/h1-2,14,16-17,19H,3-13,15,32H2,(H,34,36)/t19-/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	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human Caco2 cells-derived DPP4				Bioorg Med Chem Lett 18: 5435-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.042 BindingDB Entry DOI: 10.7270/Q2QV3MC8
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50276001 ((R)-3-Amino-N-{4-[6-(2-methoxy-ethoxy)-benzothiazo...) Show SMILES COCCOc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C25H28F3N3O5S2/c1-35-6-7-36-17-2-3-21-22(13-17)37-24(30-21)25(4-8-38(33,34)9-5-25)31-23(32)12-16(29)10-15-11-19(27)20(28)14-18(15)26/h2-3,11,13-14,16H,4-10,12,29H2,1H3,(H,31,32)/t16-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human Caco2 cells-derived DPP4				Bioorg Med Chem Lett 18: 5435-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.042 BindingDB Entry DOI: 10.7270/Q2QV3MC8
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50276046 ((R)-3-amino-4-(5-chloro-2-fluorophenyl)-N-(4-(6-(2...) Show SMILES COCCOc1ccc2nc(sc2c1)C1(CCOCC1)NC(=O)C[C@H](N)Cc1cc(Cl)ccc1F |r| Show InChI InChI=1S/C25H29ClFN3O4S/c1-32-10-11-34-19-3-5-21-22(15-19)35-24(29-21)25(6-8-33-9-7-25)30-23(31)14-18(28)13-16-12-17(26)2-4-20(16)27/h2-5,12,15,18H,6-11,13-14,28H2,1H3,(H,30,31)/t18-/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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human Caco2 cells-derived DPP4				Bioorg Med Chem Lett 18: 5435-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.042 BindingDB Entry DOI: 10.7270/Q2QV3MC8
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50217526 (CHEMBL366972) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC(O)(CC2)c2ccncc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H35Cl2N3O6/c1-39-26-16-21(17-27(40-2)28(26)41-3)29(37)36-19-31(42-20-36,23-4-5-24(32)25(33)18-23)10-15-35-13-8-30(38,9-14-35)22-6-11-34-12-7-22/h4-7,11-12,16-18,38H,8-10,13-15,19-20H2,1-3H3/t31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50090485 (CHEMBL295615 | spiro[(2-hydroxy)indane-1,40-piperi...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCO[C@@](CCN2CCC3(CC2)[C@@H](O)Cc2ccccc32)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H40Cl2N2O6/c1-42-29-18-24(19-30(43-2)32(29)44-3)33(41)39-16-17-45-35(22-39,25-8-9-27(36)28(37)21-25)12-15-38-13-10-34(11-14-38)26-7-5-4-6-23(26)20-31(34)40/h4-9,18-19,21,31,40H,10-17,20,22H2,1-3H3/t31-,35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description The compound was evaluated in vitro for its ability to displace [3H]-SP from Tachykinin receptor 3 of male guinea pig lung membrane				Bioorg Med Chem Lett 10: 1665-8 (2000) BindingDB Entry DOI: 10.7270/Q2QZ297D
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50275954 ((R)-3-Amino-N-[4-(6-methoxy-benzothiazol-2-yl)-1,1...) Show SMILES COc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C23H24F3N3O4S2/c1-33-15-2-3-19-20(11-15)34-22(28-19)23(4-6-35(31,32)7-5-23)29-21(30)10-14(27)8-13-9-17(25)18(26)12-16(13)24/h2-3,9,11-12,14H,4-8,10,27H2,1H3,(H,29,30)/t14-/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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human Caco2 cells-derived DPP4				Bioorg Med Chem Lett 18: 5435-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.042 BindingDB Entry DOI: 10.7270/Q2QV3MC8
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50217519 (CHEMBL354709) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(CC2)NC(=O)Cc2ccccc32)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H37Cl2N3O6/c1-42-28-16-23(17-29(43-2)31(28)44-3)32(41)39-20-34(45-21-39,24-8-9-26(35)27(36)19-24)12-15-38-13-10-33(11-14-38)25-7-5-4-6-22(25)18-30(40)37-33/h4-9,16-17,19H,10-15,18,20-21H2,1-3H3,(H,37,40)/t34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 2 (NK2) receptor from guinea pig ileum				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50403793 (CHEMBL2115415) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCO[C@@](CCN2CCC3(CC2)c2ccccc2C[S@@]3=O)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description The compound was evaluated in vitro for its ability to displace [3H]-SP from Tachykinin receptor 2 of male guinea pig lung membrane				Bioorg Med Chem Lett 10: 1665-8 (2000) BindingDB Entry DOI: 10.7270/Q2QZ297D
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50217520 (CHEMBL354645) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(CC2)NC(=O)Cc2ccccc32)(C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C34H38ClN3O6/c1-41-28-18-24(19-29(42-2)31(28)43-3)32(40)38-21-34(44-22-38,25-8-10-26(35)11-9-25)14-17-37-15-12-33(13-16-37)27-7-5-4-6-23(27)20-30(39)36-33/h4-11,18-19H,12-17,20-22H2,1-3H3,(H,36,39)/t34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 2 (NK2) receptor from guinea pig ileum				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50275955 ((R)-3-Amino-N-[4-(5-methoxy-benzothiazol-2-yl)-1,1...) Show SMILES COc1ccc2sc(nc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C23H24F3N3O4S2/c1-33-15-2-3-20-19(11-15)28-22(34-20)23(4-6-35(31,32)7-5-23)29-21(30)10-14(27)8-13-9-17(25)18(26)12-16(13)24/h2-3,9,11-12,14H,4-8,10,27H2,1H3,(H,29,30)/t14-/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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human Caco2 cells-derived DPP4				Bioorg Med Chem Lett 18: 5435-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.042 BindingDB Entry DOI: 10.7270/Q2QV3MC8
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50276044 ((3R)-3-amino-4-(2,4,5-trifluorophenyl)-N-{4-[6-(2-...) Show SMILES COCCOc1ccc2nc(sc2c1)C1(CCOCC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C25H28F3N3O4S/c1-33-8-9-35-17-2-3-21-22(13-17)36-24(30-21)25(4-6-34-7-5-25)31-23(32)12-16(29)10-15-11-19(27)20(28)14-18(15)26/h2-3,11,13-14,16H,4-10,12,29H2,1H3,(H,31,32)/t16-/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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human Caco2 cells-derived DPP4				Bioorg Med Chem Lett 18: 5435-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.042 BindingDB Entry DOI: 10.7270/Q2QV3MC8
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50217517 (CHEMBL353158) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC(CC2)(C(=O)N(C)C)c2ccccc2)(C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C35H42ClN3O6/c1-37(2)33(41)34(26-9-7-6-8-10-26)15-18-38(19-16-34)20-17-35(27-11-13-28(36)14-12-27)23-39(24-45-35)32(40)25-21-29(42-3)31(44-5)30(22-25)43-4/h6-14,21-22H,15-20,23-24H2,1-5H3/t35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 2 (NK2) receptor from guinea pig ileum				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50217511 (CHEMBL172342) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(CC2)N(CNC3=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H38Cl2N4O6/c1-43-28-17-23(18-29(44-2)30(28)45-3)31(41)39-20-34(46-22-39,24-9-10-26(35)27(36)19-24)13-16-38-14-11-33(12-15-38)32(42)37-21-40(33)25-7-5-4-6-8-25/h4-10,17-19H,11-16,20-22H2,1-3H3,(H,37,42)/t34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50217506 (CHEMBL170936) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC(CC2)(C(=O)N(C)C)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H41Cl2N3O6/c1-38(2)33(42)34(25-9-7-6-8-10-25)13-16-39(17-14-34)18-15-35(26-11-12-27(36)28(37)21-26)22-40(23-46-35)32(41)24-19-29(43-3)31(45-5)30(20-24)44-4/h6-12,19-21H,13-18,22-23H2,1-5H3/t35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 2 (NK2) receptor from guinea pig ileum				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50217509 (CHEMBL354731) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(C[S+]([O-])c4ccccc34)CC2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H36Cl2N2O6S/c1-40-27-16-22(17-28(41-2)30(27)42-3)31(38)37-19-33(43-21-37,23-8-9-25(34)26(35)18-23)12-15-36-13-10-32(11-14-36)20-44(39)29-7-5-4-6-24(29)32/h4-9,16-18H,10-15,19-21H2,1-3H3/t33-,44?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50217504 (CHEMBL353284) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(CC2)NC(=O)Cc2ccccc32)(C1)c1ccc(F)cc1 Show InChI InChI=1S/C34H38FN3O6/c1-41-28-18-24(19-29(42-2)31(28)43-3)32(40)38-21-34(44-22-38,25-8-10-26(35)11-9-25)14-17-37-15-12-33(13-16-37)27-7-5-4-6-23(27)20-30(39)36-33/h4-11,18-19H,12-17,20-22H2,1-3H3,(H,36,39)/t34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 2 (NK2) receptor from guinea pig ileum				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50217508 (CHEMBL367509) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H37Cl2N3O6/c1-41-27-17-22(18-28(42-2)29(27)43-3)30(39)38-20-33(44-21-38,24-9-10-25(34)26(35)19-24)13-16-37-14-11-32(12-15-37,31(36)40)23-7-5-4-6-8-23/h4-10,17-19H,11-16,20-21H2,1-3H3,(H2,36,40)/t33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50217505 (CHEMBL414377) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(CC2)[S+]([O-])Cc2ccccc32)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H36Cl2N2O6S/c1-40-28-16-23(17-29(41-2)30(28)42-3)31(38)37-20-32(43-21-37,24-8-9-26(34)27(35)18-24)10-13-36-14-11-33(12-15-36)25-7-5-4-6-22(25)19-44(33)39/h4-9,16-18H,10-15,19-21H2,1-3H3/t32-,44?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50217513 (CHEMBL171658) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(CC2)NC(=O)Cc2ccccc32)(C1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C34H37F2N3O6/c1-42-28-16-23(17-29(43-2)31(28)44-3)32(41)39-20-34(45-21-39,24-8-9-26(35)27(36)19-24)12-15-38-13-10-33(11-14-38)25-7-5-4-6-22(25)18-30(40)37-33/h4-9,16-17,19H,10-15,18,20-21H2,1-3H3,(H,37,40)/t34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 2 (NK2) receptor from guinea pig ileum				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50090485 (CHEMBL295615 | spiro[(2-hydroxy)indane-1,40-piperi...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCO[C@@](CCN2CCC3(CC2)[C@@H](O)Cc2ccccc32)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H40Cl2N2O6/c1-42-29-18-24(19-30(43-2)32(29)44-3)33(41)39-16-17-45-35(22-39,25-8-9-27(36)28(37)21-25)12-15-38-13-10-34(11-14-38)26-7-5-4-6-23(26)20-31(34)40/h4-9,18-19,21,31,40H,10-17,20,22H2,1-3H3/t31-,35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description The compound was evaluated in vitro for its ability to displace [3H]-SP from Tachykinin receptor 2 of male guinea pig lung membrane				Bioorg Med Chem Lett 10: 1665-8 (2000) BindingDB Entry DOI: 10.7270/Q2QZ297D
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50217528 (CHEMBL353596) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(CC2)[S+]([O-])Cc2ccccc32)(C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C33H37ClN2O6S/c1-39-28-18-24(19-29(40-2)30(28)41-3)31(37)36-21-32(42-22-36,25-8-10-26(34)11-9-25)12-15-35-16-13-33(14-17-35)27-7-5-4-6-23(27)20-43(33)38/h4-11,18-19H,12-17,20-22H2,1-3H3/t32-,43?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 2 (NK2) receptor from guinea pig ileum				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50217509 (CHEMBL354731) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(C[S+]([O-])c4ccccc34)CC2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H36Cl2N2O6S/c1-40-27-16-22(17-28(41-2)30(27)42-3)31(38)37-19-33(43-21-37,23-8-9-25(34)26(35)18-23)12-15-36-13-10-32(11-14-36)20-44(39)29-7-5-4-6-24(29)32/h4-9,16-18H,10-15,19-21H2,1-3H3/t33-,44?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 2 (NK2) receptor from guinea pig ileum				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50217505 (CHEMBL414377) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(CC2)[S+]([O-])Cc2ccccc32)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H36Cl2N2O6S/c1-40-28-16-23(17-29(41-2)30(28)42-3)31(38)37-20-32(43-21-37,24-8-9-26(34)27(35)18-24)10-13-36-14-11-33(12-15-36)25-7-5-4-6-22(25)19-44(33)39/h4-9,16-18H,10-15,19-21H2,1-3H3/t32-,44?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 2 (NK2) receptor from guinea pig ileum				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50217522 (CHEMBL353394) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C37H43Cl2N3O6/c1-45-31-21-26(22-32(46-2)33(31)47-3)34(43)42-24-37(48-25-42,28-11-12-29(38)30(39)23-28)15-20-40-18-13-36(14-19-40,27-9-5-4-6-10-27)35(44)41-16-7-8-17-41/h4-6,9-12,21-23H,7-8,13-20,24-25H2,1-3H3/t37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50217507 (CHEMBL171704) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(CC2)C(=O)N(C)c2ccccc32)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H37Cl2N3O6/c1-37-27-8-6-5-7-24(27)33(32(37)41)11-14-38(15-12-33)16-13-34(23-9-10-25(35)26(36)19-23)20-39(21-45-34)31(40)22-17-28(42-2)30(44-4)29(18-22)43-3/h5-10,17-19H,11-16,20-21H2,1-4H3/t34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50217527 (CHEMBL172227) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC(CC2)(C(=O)N(C)C)c2ccccc2)(C1)c1ccc(F)cc1 Show InChI InChI=1S/C35H42FN3O6/c1-37(2)33(41)34(26-9-7-6-8-10-26)15-18-38(19-16-34)20-17-35(27-11-13-28(36)14-12-27)23-39(24-45-35)32(40)25-21-29(42-3)31(44-5)30(22-25)43-4/h6-14,21-22H,15-20,23-24H2,1-5H3/t35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 2 (NK2) receptor from guinea pig ileum				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50217530 (CHEMBL170084) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C33H37F2N3O6/c1-41-27-17-22(18-28(42-2)29(27)43-3)30(39)38-20-33(44-21-38,24-9-10-25(34)26(35)19-24)13-16-37-14-11-32(12-15-37,31(36)40)23-7-5-4-6-8-23/h4-10,17-19H,11-16,20-21H2,1-3H3,(H2,36,40)/t33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50403790 (CHEMBL2114963) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCO[C@@](CCN2CCC3(CC2)c2ccccc2C[S@]3=O)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description The compound was evaluated in vitro for its ability to displace [3H]-SP from Tachykinin receptor 3 of male guinea pig lung membrane				Bioorg Med Chem Lett 10: 1665-8 (2000) BindingDB Entry DOI: 10.7270/Q2QZ297D
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50217519 (CHEMBL354709) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(CC2)NC(=O)Cc2ccccc32)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H37Cl2N3O6/c1-42-28-16-23(17-29(43-2)31(28)44-3)32(41)39-20-34(45-21-39,24-8-9-26(35)27(36)19-24)12-15-38-13-10-33(11-14-38)25-7-5-4-6-22(25)18-30(40)37-33/h4-9,16-17,19H,10-15,18,20-21H2,1-3H3,(H,37,40)/t34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50275905 ((R)-3-Amino-4-(2-fluoro-phenyl)-N-[4-(6-methoxy-be...) Show SMILES COc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r| Show InChI InChI=1S/C23H26FN3O4S2/c1-31-17-6-7-19-20(14-17)32-22(26-19)23(8-10-33(29,30)11-9-23)27-21(28)13-16(25)12-15-4-2-3-5-18(15)24/h2-7,14,16H,8-13,25H2,1H3,(H,27,28)/t16-/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human Caco2 cells-derived DPP4				Bioorg Med Chem Lett 18: 5435-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.042 BindingDB Entry DOI: 10.7270/Q2QV3MC8
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50217528 (CHEMBL353596) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(CC2)[S+]([O-])Cc2ccccc32)(C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C33H37ClN2O6S/c1-39-28-18-24(19-29(40-2)30(28)41-3)31(37)36-21-32(42-22-36,25-8-10-26(34)11-9-25)12-15-35-16-13-33(14-17-35)27-7-5-4-6-23(27)20-43(33)38/h4-11,18-19H,12-17,20-22H2,1-3H3/t32-,43?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50275904 ((R)-3-Amino-N-(4-benzothiazol-2-yl-1,1-dioxo-hexah...) Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccccc2s1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C22H22F3N3O3S2/c23-15-12-17(25)16(24)10-13(15)9-14(26)11-20(29)28-22(5-7-33(30,31)8-6-22)21-27-18-3-1-2-4-19(18)32-21/h1-4,10,12,14H,5-9,11,26H2,(H,28,29)/t14-/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human Caco2 cells-derived DPP4				Bioorg Med Chem Lett 18: 5435-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.042 BindingDB Entry DOI: 10.7270/Q2QV3MC8
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50217514 (CHEMBL369246) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC(CC2)(C(=O)N(C)C)c2ccccc2)(C1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C35H41F2N3O6/c1-38(2)33(42)34(25-9-7-6-8-10-25)13-16-39(17-14-34)18-15-35(26-11-12-27(36)28(37)21-26)22-40(23-46-35)32(41)24-19-29(43-3)31(45-5)30(20-24)44-4/h6-12,19-21H,13-18,22-23H2,1-5H3/t35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 2 (NK2) receptor from guinea pig ileum				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50217510 (CHEMBL355387) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(CC2)[S+]([O-])Cc2ccccc32)(C1)c1ccc(F)cc1 Show InChI InChI=1S/C33H37FN2O6S/c1-39-28-18-24(19-29(40-2)30(28)41-3)31(37)36-21-32(42-22-36,25-8-10-26(34)11-9-25)12-15-35-16-13-33(14-17-35)27-7-5-4-6-23(27)20-43(33)38/h4-11,18-19H,12-17,20-22H2,1-3H3/t32-,43?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50217512 (CHEMBL169132) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(CC2)[S+]([O-])Cc2ccccc32)(C1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C33H36F2N2O6S/c1-40-28-16-23(17-29(41-2)30(28)42-3)31(38)37-20-32(43-21-37,24-8-9-26(34)27(35)18-24)10-13-36-14-11-33(12-15-36)25-7-5-4-6-22(25)19-44(33)39/h4-9,16-18H,10-15,19-21H2,1-3H3/t32-,44?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50090487 (CHEMBL298247 | spiro[(2-hydroxy)indane-1,40-piperi...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCO[C@@](CCN2CCC3(CC2)[C@H](O)Cc2ccccc32)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H40Cl2N2O6/c1-42-29-18-24(19-30(43-2)32(29)44-3)33(41)39-16-17-45-35(22-39,25-8-9-27(36)28(37)21-25)12-15-38-13-10-34(11-14-38)26-7-5-4-6-23(26)20-31(34)40/h4-9,18-19,21,31,40H,10-17,20,22H2,1-3H3/t31-,35+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description The compound was evaluated in vitro for its ability to displace [3H]-SP from Tachykinin receptor 3 of male guinea pig lung membrane				Bioorg Med Chem Lett 10: 1665-8 (2000) BindingDB Entry DOI: 10.7270/Q2QZ297D
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50217506 (CHEMBL170936) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC(CC2)(C(=O)N(C)C)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H41Cl2N3O6/c1-38(2)33(42)34(25-9-7-6-8-10-25)13-16-39(17-14-34)18-15-35(26-11-12-27(36)28(37)21-26)22-40(23-46-35)32(41)24-19-29(43-3)31(45-5)30(20-24)44-4/h6-12,19-21H,13-18,22-23H2,1-5H3/t35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair

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