Compile Data Set for Download or QSAR

Found 578 hits with Last Name = 'kopecka' 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
Gastrin/cholecystokinin type B receptor (GUINEA PIG)	BDBM21147 ((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 39: 346-51 (1991) BindingDB Entry DOI: 10.7270/Q2222S8S
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11644 ((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...) Show SMILES N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-50.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12648 ((2S,5R)-5-Ethynyl-1-{N-(4-methyl-1-(4-carboxy-pyri...) Show SMILES CC1(CCN(CC1)c1cc(ccn1)C(O)=O)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r| Show InChI InChI=1S/C21H25N5O3/c1-3-16-4-5-17(13-22)26(16)19(27)14-24-21(2)7-10-25(11-8-21)18-12-15(20(28)29)6-9-23-18/h1,6,9,12,16-17,24H,4-5,7-8,10-11,14H2,2H3,(H,28,29)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12647 ((2S,5R)-5-ethynyl-1-(N-(4-methyl-1-(5-carboxy-pyri...) Show SMILES CC1(CCN(CC1)c1ccc(cn1)C(O)=O)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r| Show InChI InChI=1S/C21H25N5O3/c1-3-16-5-6-17(12-22)26(16)19(27)14-24-21(2)8-10-25(11-9-21)18-7-4-15(13-23-18)20(28)29/h1,4,7,13,16-17,24H,5-6,8-11,14H2,2H3,(H,28,29)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15494 (3-{6-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyr...) Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C21H17F3N4O2/c22-15-6-17(24)16(23)5-13(15)14-8-28(9-18(14)25)20-7-19(26-10-27-20)11-2-1-3-12(4-11)21(29)30/h1-7,10,14,18H,8-9,25H2,(H,29,30)/t14-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 2005-12 (2007) Article DOI: 10.1016/j.bmcl.2007.01.026 BindingDB Entry DOI: 10.7270/Q20G3HCQ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15500 ((3R,4S)-1-[4-(3-methanesulfonylphenyl)-1,3,5-triaz...) Show SMILES CS(=O)(=O)c1cccc(c1)-c1ncnc(n1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H18F3N5O2S/c1-31(29,30)12-4-2-3-11(5-12)19-25-10-26-20(27-19)28-8-14(18(24)9-28)13-6-16(22)17(23)7-15(13)21/h2-7,10,14,18H,8-9,24H2,1H3/t14-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 2005-12 (2007) Article DOI: 10.1016/j.bmcl.2007.01.026 BindingDB Entry DOI: 10.7270/Q20G3HCQ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM11644 ((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...) Show SMILES N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12646 ((2S,5R)-5-ethynyl-1-(N-(4-methyl-1-(5-cyano-pyridi...) Show SMILES CC1(CCN(CC1)c1ccc(cn1)C#N)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r| Show InChI InChI=1S/C21H24N6O/c1-3-17-5-6-18(13-23)27(17)20(28)15-25-21(2)8-10-26(11-9-21)19-7-4-16(12-22)14-24-19/h1,4,7,14,17-18,25H,5-6,8-11,15H2,2H3/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-10 (Rattus norvegicus)	BDBM50287851 ((S)-2-(3-Fluoro-phenoxymethyl)-azetidine | CHEMBL3...) Show SMILES Fc1cccc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C10H12FNO/c11-8-2-1-3-10(6-8)13-7-9-4-5-12-9/h1-3,6,9,12H,4-5,7H2/t9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain				Bioorg Med Chem Lett 6: 2283-2288 (1996) Article DOI: 10.1016/0960-894X(96)00416-7 BindingDB Entry DOI: 10.7270/Q2C82999
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15497 ((3R,4S)-1-{6-[3-(morpholine-4-sulfonyl)phenyl]pyri...) Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccc(c1)S(=O)(=O)N1CCOCC1 |r| Show InChI InChI=1S/C24H24F3N5O3S/c25-19-10-21(27)20(26)9-17(19)18-12-31(13-22(18)28)24-11-23(29-14-30-24)15-2-1-3-16(8-15)36(33,34)32-4-6-35-7-5-32/h1-3,8-11,14,18,22H,4-7,12-13,28H2/t18-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 2005-12 (2007) Article DOI: 10.1016/j.bmcl.2007.01.026 BindingDB Entry DOI: 10.7270/Q20G3HCQ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15498 ((3R,4S)-1-[6-(3-methanesulfonylphenyl)pyrimidin-4-...) Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H19F3N4O2S/c1-31(29,30)13-4-2-3-12(5-13)20-8-21(27-11-26-20)28-9-15(19(25)10-28)14-6-17(23)18(24)7-16(14)22/h2-8,11,15,19H,9-10,25H2,1H3/t15-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 2005-12 (2007) Article DOI: 10.1016/j.bmcl.2007.01.026 BindingDB Entry DOI: 10.7270/Q20G3HCQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gastrin/cholecystokinin type B receptor (GUINEA PIG)	BDBM50002515 ((A-71623)3-[2-[2-tert-Butoxycarbonylamino-3-(1H-in...) Show SMILES CN(C(Cc1ccccc1)C(N)=O)C(=O)C(CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28)48-40(57)34(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34?,35?,36?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 39: 346-51 (1991) BindingDB Entry DOI: 10.7270/Q2222S8S
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM11644 ((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...) Show SMILES N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11695 ((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...) Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4| Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12643 (6-{[4-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...) Show SMILES O=C(CNC1CC[C@@H](CC1)Oc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r,wU:23.26,wD:7.10,(-4.29,1.85,;-4.29,3.39,;-5.62,4.16,;-6.95,3.39,;-8.29,4.16,;-9.64,3.43,;-10.96,4.23,;-10.92,5.77,;-9.56,6.51,;-8.25,5.7,;-12.23,6.57,;-13.72,6.17,;-14.36,4.77,;-15.89,4.63,;-16.79,5.88,;-16.14,7.28,;-14.61,7.43,;-18.27,5.48,;-19.76,5.09,;-2.95,4.16,;-2.26,5.54,;-.74,5.3,;-.49,3.78,;-1.86,3.08,;-2.26,1.59,;-2.66,.1,)| Show InChI InChI=1S/C19H23N5O2/c20-10-14-3-8-18(23-12-14)26-17-6-4-15(5-7-17)22-13-19(25)24-9-1-2-16(24)11-21/h3,8,12,15-17,22H,1-2,4-7,9,13H2/t15?,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (GUINEA PIG)	BDBM81870 (A-70874 | CAS_6439313 | NSC_6439313) Show SMILES CNC(Cc1ccccc1)C(=O)N(C(=O)C(CC(O)=O)NC(=O)C(N)CCCCNC(=O)C=Cc1ccc(O)cc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C |w:32.32| Show InChI InChI=1S/C45H55N7O10/c1-45(2,3)62-44(61)51-36(25-30-27-49-34-16-9-8-14-32(30)34)42(59)52(41(58)35(47-4)24-29-12-6-5-7-13-29)43(60)37(26-39(55)56)50-40(57)33(46)15-10-11-23-48-38(54)22-19-28-17-20-31(53)21-18-28/h5-9,12-14,16-22,27,33,35-37,47,49,53H,10-11,15,23-26,46H2,1-4H3,(H,48,54)(H,50,57)(H,51,61)(H,55,56)/b22-19+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 39: 346-51 (1991) BindingDB Entry DOI: 10.7270/Q2222S8S
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-10 (Rattus norvegicus)	BDBM50287814 ((S)-2-(3-Fluoro-phenoxymethyl)-1-methyl-pyrrolidin...) Show SMILES CN1CCC[C@H]1COc1cccc(F)c1 Show InChI InChI=1S/C12H16FNO/c1-14-7-3-5-11(14)9-15-12-6-2-4-10(13)8-12/h2,4,6,8,11H,3,5,7,9H2,1H3/t11-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain				Bioorg Med Chem Lett 6: 2283-2288 (1996) Article DOI: 10.1016/0960-894X(96)00416-7 BindingDB Entry DOI: 10.7270/Q2C82999
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12638 ((2S,5R)-5-ethynyl-1-{N-(4-trans(5-cyano-pyridin-2-...) Show SMILES O=C(CN[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)C#N)N1[C@H](CC[C@H]1C#N)C#C |r,wU:23.26,20.28,7.10,wD:4.3,(-4.29,1.85,;-4.29,3.39,;-5.62,4.16,;-6.95,3.39,;-8.29,4.16,;-8.25,5.7,;-9.56,6.51,;-10.92,5.77,;-10.96,4.23,;-9.64,3.43,;-12.23,6.57,;-13.72,6.17,;-14.35,4.77,;-15.88,4.61,;-16.78,5.86,;-16.15,7.26,;-14.62,7.42,;-18.27,5.46,;-19.76,5.06,;-2.95,4.16,;-2.26,5.54,;-.74,5.3,;-.49,3.78,;-1.86,3.08,;-2.26,1.59,;-2.66,.1,;-3.03,6.87,;-3.8,8.2,)| Show InChI InChI=1S/C21H23N5O2/c1-2-17-6-7-18(12-23)26(17)21(27)14-24-16-4-8-19(9-5-16)28-20-10-3-15(11-22)13-25-20/h1,3,10,13,16-19,24H,4-9,14H2/t16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15491 ((+/-) racemate | (3R,4S)-1-[6-(thiophen-3-yl)pyrim...) Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccsc1 |r| Show InChI InChI=1S/C18H15F3N4S/c19-13-4-15(21)14(20)3-11(13)12-6-25(7-16(12)22)18-5-17(23-9-24-18)10-1-2-26-8-10/h1-5,8-9,12,16H,6-7,22H2/t12-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 2005-12 (2007) Article DOI: 10.1016/j.bmcl.2007.01.026 BindingDB Entry DOI: 10.7270/Q20G3HCQ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15496 (3-{6-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyr...) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C23H22F3N5O/c1-30(2)23(32)14-5-3-4-13(6-14)21-9-22(29-12-28-21)31-10-16(20(27)11-31)15-7-18(25)19(26)8-17(15)24/h3-9,12,16,20H,10-11,27H2,1-2H3/t16-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 2005-12 (2007) Article DOI: 10.1016/j.bmcl.2007.01.026 BindingDB Entry DOI: 10.7270/Q20G3HCQ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11642 ((2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-eth...) Show SMILES N[C@@H](C1CCCC1)C(=O)N1[C@H](CC[C@H]1C#N)C#C |r| Show InChI InChI=1S/C14H19N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-8,16H2/t11-,12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	-45.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12626 ((2S,5R)-1-[(2S)-2-amino-4-methylpentanoyl]-5-ethyn...) Show SMILES CC(C)C[C@H](N)C(=O)N1[C@H](CC[C@H]1C#N)C#C |r| Show InChI InChI=1S/C13H19N3O/c1-4-10-5-6-11(8-14)16(10)13(17)12(15)7-9(2)3/h1,9-12H,5-7,15H2,2-3H3/t10-,11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	-45.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (GUINEA PIG)	BDBM21147 ((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 39: 346-51 (1991) BindingDB Entry DOI: 10.7270/Q2222S8S
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15499 ((3R,4S)-1-[6-(3-fluoro-5-methanesulfonylphenyl)pyr...) Show SMILES CS(=O)(=O)c1cc(F)cc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H18F4N4O2S/c1-32(30,31)13-3-11(2-12(22)4-13)20-7-21(28-10-27-20)29-8-15(19(26)9-29)14-5-17(24)18(25)6-16(14)23/h2-7,10,15,19H,8-9,26H2,1H3/t15-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 2005-12 (2007) Article DOI: 10.1016/j.bmcl.2007.01.026 BindingDB Entry DOI: 10.7270/Q20G3HCQ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM12643 (6-{[4-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...) Show SMILES O=C(CNC1CC[C@@H](CC1)Oc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r,wU:23.26,wD:7.10,(-4.29,1.85,;-4.29,3.39,;-5.62,4.16,;-6.95,3.39,;-8.29,4.16,;-9.64,3.43,;-10.96,4.23,;-10.92,5.77,;-9.56,6.51,;-8.25,5.7,;-12.23,6.57,;-13.72,6.17,;-14.36,4.77,;-15.89,4.63,;-16.79,5.88,;-16.14,7.28,;-14.61,7.43,;-18.27,5.48,;-19.76,5.09,;-2.95,4.16,;-2.26,5.54,;-.74,5.3,;-.49,3.78,;-1.86,3.08,;-2.26,1.59,;-2.66,.1,)| Show InChI InChI=1S/C19H23N5O2/c20-10-14-3-8-18(23-12-14)26-17-6-4-15(5-7-17)22-13-19(25)24-9-1-2-16(24)11-21/h3,8,12,15-17,22H,1-2,4-7,9,13H2/t15?,16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12644 ((2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-ca...) Show SMILES CC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C11H19N3O/c1-11(2,3)13-8-10(15)14-6-4-5-9(14)7-12/h9,13H,4-6,8H2,1-3H3/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12645 ((2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-c...) Show SMILES O=C(CNC1CCCC1)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C12H19N3O/c13-8-11-6-3-7-15(11)12(16)9-14-10-4-1-2-5-10/h10-11,14H,1-7,9H2/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-10 (Rattus norvegicus)	BDBM50287829 ((R)-2-(3-Fluoro-phenoxymethyl)-pyrrolidine | CHEMB...) Show SMILES Fc1cccc(OC[C@H]2CCCN2)c1 Show InChI InChI=1S/C11H14FNO/c12-9-3-1-5-11(7-9)14-8-10-4-2-6-13-10/h1,3,5,7,10,13H,2,4,6,8H2/t10-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain				Bioorg Med Chem Lett 6: 2283-2288 (1996) Article DOI: 10.1016/0960-894X(96)00416-7 BindingDB Entry DOI: 10.7270/Q2C82999
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-10 (Rattus norvegicus)	BDBM50287821 ((S)-2-(3-Fluoro-phenoxymethyl)-1-methyl-azetidine ...) Show SMILES CN1CC[C@H]1COc1cccc(F)c1 Show InChI InChI=1S/C11H14FNO/c1-13-6-5-10(13)8-14-11-4-2-3-9(12)7-11/h2-4,7,10H,5-6,8H2,1H3/t10-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain				Bioorg Med Chem Lett 6: 2283-2288 (1996) Article DOI: 10.1016/0960-894X(96)00416-7 BindingDB Entry DOI: 10.7270/Q2C82999
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-10 (Rattus norvegicus)	BDBM50287812 ((S)-2-(3-Fluoro-phenoxymethyl)-pyrrolidine | CHEMB...) Show SMILES Fc1cccc(OC[C@@H]2CCCN2)c1 Show InChI InChI=1S/C11H14FNO/c12-9-3-1-5-11(7-9)14-8-10-4-2-6-13-10/h1,3,5,7,10,13H,2,4,6,8H2/t10-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain				Bioorg Med Chem Lett 6: 2283-2288 (1996) Article DOI: 10.1016/0960-894X(96)00416-7 BindingDB Entry DOI: 10.7270/Q2C82999
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15488 ((+/-) racemate | (3R,4S)-4-(2,4-dichlorophenyl)-1-...) Show SMILES N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1cc(ncn1)-c1ccsc1 |r| Show InChI InChI=1S/C18H16Cl2N4S/c19-12-1-2-13(15(20)5-12)14-7-24(8-16(14)21)18-6-17(22-10-23-18)11-3-4-25-9-11/h1-6,9-10,14,16H,7-8,21H2/t14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 2005-12 (2007) Article DOI: 10.1016/j.bmcl.2007.01.026 BindingDB Entry DOI: 10.7270/Q20G3HCQ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15491 ((+/-) racemate | (3R,4S)-1-[6-(thiophen-3-yl)pyrim...) Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccsc1 |r| Show InChI InChI=1S/C18H15F3N4S/c19-13-4-15(21)14(20)3-11(13)12-6-25(7-16(12)22)18-5-17(23-9-24-18)10-1-2-26-8-10/h1-5,8-9,12,16H,6-7,22H2/t12-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 2005-12 (2007) Article DOI: 10.1016/j.bmcl.2007.01.026 BindingDB Entry DOI: 10.7270/Q20G3HCQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-10 (Rattus norvegicus)	BDBM50287838 ((S)-2-(3,4-Difluoro-phenoxymethyl)-pyrrolidine | C...) Show SMILES Fc1ccc(OC[C@@H]2CCCN2)cc1F Show InChI InChI=1S/C11H13F2NO/c12-10-4-3-9(6-11(10)13)15-7-8-2-1-5-14-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain				Bioorg Med Chem Lett 6: 2283-2288 (1996) Article DOI: 10.1016/0960-894X(96)00416-7 BindingDB Entry DOI: 10.7270/Q2C82999
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-10 (Rattus norvegicus)	BDBM50287848 ((S)-2-(3,4-Difluoro-phenoxymethyl)-1-methyl-pyrrol...) Show SMILES CN1CCC[C@H]1COc1ccc(F)c(F)c1 Show InChI InChI=1S/C12H15F2NO/c1-15-6-2-3-9(15)8-16-10-4-5-11(13)12(14)7-10/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain				Bioorg Med Chem Lett 6: 2283-2288 (1996) Article DOI: 10.1016/0960-894X(96)00416-7 BindingDB Entry DOI: 10.7270/Q2C82999
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-10 (Rattus norvegicus)	BDBM50287834 (3-((S)-1-Pyrrolidin-2-ylmethoxy)-benzonitrile | CH...) Show SMILES N#Cc1cccc(OC[C@@H]2CCCN2)c1 Show InChI InChI=1S/C12H14N2O/c13-8-10-3-1-5-12(7-10)15-9-11-4-2-6-14-11/h1,3,5,7,11,14H,2,4,6,9H2/t11-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain				Bioorg Med Chem Lett 6: 2283-2288 (1996) Article DOI: 10.1016/0960-894X(96)00416-7 BindingDB Entry DOI: 10.7270/Q2C82999
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-10 (Rattus norvegicus)	BDBM50287816 ((S)-2-(3,5-Difluoro-phenoxymethyl)-pyrrolidine | C...) Show SMILES Fc1cc(F)cc(OC[C@@H]2CCCN2)c1 Show InChI InChI=1S/C11H13F2NO/c12-8-4-9(13)6-11(5-8)15-7-10-2-1-3-14-10/h4-6,10,14H,1-3,7H2/t10-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain				Bioorg Med Chem Lett 6: 2283-2288 (1996) Article DOI: 10.1016/0960-894X(96)00416-7 BindingDB Entry DOI: 10.7270/Q2C82999
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-10 (Rattus norvegicus)	BDBM50287849 ((S)-2-(3,5-Difluoro-phenoxymethyl)-1-methyl-pyrrol...) Show SMILES CN1CCC[C@H]1COc1cc(F)cc(F)c1 Show InChI InChI=1S/C12H15F2NO/c1-15-4-2-3-11(15)8-16-12-6-9(13)5-10(14)7-12/h5-7,11H,2-4,8H2,1H3/t11-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain				Bioorg Med Chem Lett 6: 2283-2288 (1996) Article DOI: 10.1016/0960-894X(96)00416-7 BindingDB Entry DOI: 10.7270/Q2C82999
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15492 ((3R,4S)-1-(6-phenylpyrimidin-4-yl)-4-(2,4,5-triflu...) Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccccc1 |r| Show InChI InChI=1S/C20H17F3N4/c21-15-7-17(23)16(22)6-13(15)14-9-27(10-18(14)24)20-8-19(25-11-26-20)12-4-2-1-3-5-12/h1-8,11,14,18H,9-10,24H2/t14-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 2005-12 (2007) Article DOI: 10.1016/j.bmcl.2007.01.026 BindingDB Entry DOI: 10.7270/Q20G3HCQ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12635 ((2S,5R)-1-(N-cyclopentylglycyl)-5-ethynylpyrrolidi...) Show SMILES O=C(CNC1CCCC1)N1[C@H](CC[C@H]1C#N)C#C |r| Show InChI InChI=1S/C14H19N3O/c1-2-12-7-8-13(9-15)17(12)14(18)10-16-11-5-3-4-6-11/h1,11-13,16H,3-8,10H2/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	22	-43.3	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11643 ((2S,5R)-1-((2S)-2-amino-2-cyclopentylethanoyl)-5-p...) Show SMILES CC#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1 |r| Show InChI InChI=1S/C15H21N3O/c1-2-5-12-8-9-13(10-16)18(12)15(19)14(17)11-6-3-4-7-11/h11-14H,3-4,6-9,17H2,1H3/t12-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24	-43.1	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (GUINEA PIG)	BDBM50002477 ((S)-3-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C34H44N6O8S/c1-34(2,3)48-33(47)40-26(17-21-19-36-23-13-9-8-12-22(21)23)31(45)37-24(14-15-49-4)30(44)39-27(18-28(41)42)32(46)38-25(29(35)43)16-20-10-6-5-7-11-20/h5-13,19,24-27,36H,14-18H2,1-4H3,(H2,35,43)(H,37,45)(H,38,46)(H,39,44)(H,40,47)(H,41,42)/t24-,25-,26-,27-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 39: 346-51 (1991) BindingDB Entry DOI: 10.7270/Q2222S8S
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12639 ((2S,5R)-1-(N-(tert-butyl)glycyl)-5-ethynylpyrrolid...) Show SMILES CC(C)(C)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r| Show InChI InChI=1S/C13H19N3O/c1-5-10-6-7-11(8-14)16(10)12(17)9-15-13(2,3)4/h1,10-11,15H,6-7,9H2,2-4H3/t10-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15489 ((+/-) racemate | (3R,4S)-4-(2-chloro-4-fluoropheny...) Show SMILES N[C@H]1CN(C[C@@H]1c1ccc(F)cc1Cl)c1cc(ncn1)-c1ccsc1 |r| Show InChI InChI=1S/C18H16ClFN4S/c19-15-5-12(20)1-2-13(15)14-7-24(8-16(14)21)18-6-17(22-10-23-18)11-3-4-25-9-11/h1-6,9-10,14,16H,7-8,21H2/t14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 2005-12 (2007) Article DOI: 10.1016/j.bmcl.2007.01.026 BindingDB Entry DOI: 10.7270/Q20G3HCQ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15490 ((+/-) racemate | (3R,4S)-4-(2-chloro-4,5-difluorop...) Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1Cl)c1cc(ncn1)-c1ccsc1 |r| Show InChI InChI=1S/C18H15ClF2N4S/c19-13-4-15(21)14(20)3-11(13)12-6-25(7-16(12)22)18-5-17(23-9-24-18)10-1-2-26-8-10/h1-5,8-9,12,16H,6-7,22H2/t12-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 2005-12 (2007) Article DOI: 10.1016/j.bmcl.2007.01.026 BindingDB Entry DOI: 10.7270/Q20G3HCQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-10 (Rattus norvegicus)	BDBM50287852 ((S)-2-(3-Chloro-phenoxymethyl)-1-methyl-pyrrolidin...) Show SMILES CN1CCC[C@H]1COc1cccc(Cl)c1 Show InChI InChI=1S/C12H16ClNO/c1-14-7-3-5-11(14)9-15-12-6-2-4-10(13)8-12/h2,4,6,8,11H,3,5,7,9H2,1H3/t11-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain				Bioorg Med Chem Lett 6: 2283-2288 (1996) Article DOI: 10.1016/0960-894X(96)00416-7 BindingDB Entry DOI: 10.7270/Q2C82999
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-10 (Rattus norvegicus)	BDBM50287824 ((S)-1-Methyl-2-phenoxymethyl-pyrrolidine | CHEMBL7...) Show SMILES CN1CCC[C@H]1COc1ccccc1 Show InChI InChI=1S/C12H17NO/c1-13-9-5-6-11(13)10-14-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/t11-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain				Bioorg Med Chem Lett 6: 2283-2288 (1996) Article DOI: 10.1016/0960-894X(96)00416-7 BindingDB Entry DOI: 10.7270/Q2C82999
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12627 ((2S,5S)-1-L-leucyl-5-methylpyrrolidine-2-carbonitr...) Show SMILES CC(C)C[C@H](N)C(=O)N1[C@@H](C)CC[C@H]1C#N |r| Show InChI InChI=1S/C12H21N3O/c1-8(2)6-11(14)12(16)15-9(3)4-5-10(15)7-13/h8-11H,4-6,14H2,1-3H3/t9-,10-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	49	-41.3	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-10 (Rattus norvegicus)	BDBM50287820 (3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-benzonitri...) Show SMILES CN1CCC[C@H]1COc1cccc(c1)C#N Show InChI InChI=1S/C13H16N2O/c1-15-7-3-5-12(15)10-16-13-6-2-4-11(8-13)9-14/h2,4,6,8,12H,3,5,7,10H2,1H3/t12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain				Bioorg Med Chem Lett 6: 2283-2288 (1996) Article DOI: 10.1016/0960-894X(96)00416-7 BindingDB Entry DOI: 10.7270/Q2C82999
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-10 (Rattus norvegicus)	BDBM50287843 ((S)-2-Phenoxymethyl-azetidine | CHEMBL72031) Show SMILES C(Oc1ccccc1)[C@@H]1CCN1 Show InChI InChI=1S/C10H13NO/c1-2-4-10(5-3-1)12-8-9-6-7-11-9/h1-5,9,11H,6-8H2/t9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain				Bioorg Med Chem Lett 6: 2283-2288 (1996) Article DOI: 10.1016/0960-894X(96)00416-7 BindingDB Entry DOI: 10.7270/Q2C82999
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12642 ((2S,5R)-5-ethynyl-1-[N-(3-hydroxy-1-adamantyl)glyc...) Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r,TLB:6:1:9:5.4.7,THB:7:5:2:9.10.8,7:8:2:5.4.6,6:5:9:10.2.1,0:1:9:5.4.7| Show InChI InChI=1S/C19H25N3O2/c1-2-15-3-4-16(10-20)22(15)17(23)11-21-18-6-13-5-14(7-18)9-19(24,8-13)12-18/h1,13-16,21,24H,3-9,11-12H2/t13?,14?,15-,16-,18?,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair

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