Compile Data Set for Download or QSAR

Found 841 hits with Last Name = 'yoshida' and Initial = 'k'   

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)	BDBM50084033 (1H-Indole-2-carboxylic acid [(R)-1-(2-fluoro-pheny...) Show SMILES Fc1ccccc1C1=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(=O)N2CCc3cccc1c23 |t:8| Show InChI InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 571-5 (1994) BindingDB Entry DOI: 10.7270/Q2WQ029S
					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	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 571-5 (1994) BindingDB Entry DOI: 10.7270/Q2WQ029S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Adenosine A1 receptor binding using [3H]DPCPX in rat cortical membranes				J Med Chem 42: 779-83 (1999) Article DOI: 10.1021/jm980671w BindingDB Entry DOI: 10.7270/Q2J105WN
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50084033 (1H-Indole-2-carboxylic acid [(R)-1-(2-fluoro-pheny...) Show SMILES Fc1ccccc1C1=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(=O)N2CCc3cccc1c23 |t:8| Show InChI InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 571-5 (1994) BindingDB Entry DOI: 10.7270/Q2WQ029S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50079652 ((E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...) Show SMILES OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Adenosine A1 receptor binding using [3H]DPCPX in human cortical membranes				J Med Chem 42: 779-83 (1999) Article DOI: 10.1021/jm980671w BindingDB Entry DOI: 10.7270/Q2J105WN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50079652 ((E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...) Show SMILES OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Adenosine A1 receptor binding using [3H]DPCOX in rat cortical membranes				J Med Chem 42: 779-83 (1999) Article DOI: 10.1021/jm980671w BindingDB Entry DOI: 10.7270/Q2J105WN
					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	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 571-5 (1994) BindingDB Entry DOI: 10.7270/Q2WQ029S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50079654 (4-(6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)py...) Show SMILES OC(=O)CCCn1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1 Show InChI InChI=1S/C21H18N4O3/c26-18-12-11-16(22-25(18)14-6-10-19(27)28)20-17-9-4-5-13-24(17)23-21(20)15-7-2-1-3-8-15/h1-5,7-9,11-13H,6,10,14H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Adenosine A1 receptor using [3H]DPCOX in rat cortical membranes				J Med Chem 42: 779-83 (1999) Article DOI: 10.1021/jm980671w BindingDB Entry DOI: 10.7270/Q2J105WN
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (GUINEA PIG)	BDBM50185261 (4-(3,4-dichlorobenzamido)-5-((3-methoxypropyl)(pen...) Show SMILES CCCCCN(CCCOC)C(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 571-5 (1994) BindingDB Entry DOI: 10.7270/Q2WQ029S
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579459 (CHEMBL4863322) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(=O)(=O)c2ncc[nH]2)cc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (GUINEA PIG)	BDBM50084033 (1H-Indole-2-carboxylic acid [(R)-1-(2-fluoro-pheny...) Show SMILES Fc1ccccc1C1=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(=O)N2CCc3cccc1c23 |t:8| Show InChI InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 571-5 (1994) BindingDB Entry DOI: 10.7270/Q2WQ029S
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579460 (CHEMBL4857707) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)Nc1ccc(c(C)c1)-c1cc2c3nc(C)nn3c(=O)[nH]c2cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Adenosine A2 receptor binding using [3H]CGS-21680 in rat striatal membranes				J Med Chem 42: 779-83 (1999) Article DOI: 10.1021/jm980671w BindingDB Entry DOI: 10.7270/Q2J105WN
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579456 (CHEMBL4863017) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579458 (CHEMBL4862554) Show SMILES CNS(=O)(=O)Nc1ccc(c(C)c1)-c1cc2c3nc(C)nn3c(=O)[nH]c2cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579455 (CHEMBL4873816) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579457 (CHEMBL4846481) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	287	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50185261 (4-(3,4-dichlorobenzamido)-5-((3-methoxypropyl)(pen...) Show SMILES CCCCCN(CCCOC)C(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 571-5 (1994) BindingDB Entry DOI: 10.7270/Q2WQ029S
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579461 (CHEMBL4854153) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NCc2ncc[nH]2)cc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579453 (CHEMBL4875904) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579455 (CHEMBL4873816) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579456 (CHEMBL4863017) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579454 (CHEMBL4868118) Show SMILES COc1cc(ccc1NS(C)(=O)=O)-c1cc2c3nc(C)nn3c(=O)[nH]c2cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50079654 (4-(6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)py...) Show SMILES OC(=O)CCCn1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1 Show InChI InChI=1S/C21H18N4O3/c26-18-12-11-16(22-25(18)14-6-10-19(27)28)20-17-9-4-5-13-24(17)23-21(20)15-7-2-1-3-8-15/h1-5,7-9,11-13H,6,10,14H2,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Adenosine A2 receptor binding using [3H]CGS-21680 in rat striatal membranes				J Med Chem 42: 779-83 (1999) Article DOI: 10.1021/jm980671w BindingDB Entry DOI: 10.7270/Q2J105WN
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50079652 ((E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...) Show SMILES OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Adenosine A2 receptor binding using [3H]CGS-21680 in rat striatal membranes				J Med Chem 42: 779-83 (1999) Article DOI: 10.1021/jm980671w BindingDB Entry DOI: 10.7270/Q2J105WN
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579453 (CHEMBL4875904) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579447 (CHEMBL4874818) Show SMILES COc1cnccc1-c1cc2c3nc(C)nn3c(=O)[nH]c2cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579452 (CHEMBL4846039) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(N)cc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579445 (CHEMBL4859588) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccccc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579448 (CHEMBL4851756) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1cccc2[nH]ccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579446 (CHEMBL4860976) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccncc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579449 (CHEMBL4872496) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccnc2[nH]ccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579450 (CHEMBL4876721) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1c(C)ccc2[nH]ncc12 |(14.09,-43.85,;13.41,-45.23,;11.92,-45.48,;11.7,-46.97,;10.37,-47.75,;9.03,-46.99,;7.7,-47.76,;7.7,-49.3,;6.36,-50.07,;9.03,-50.08,;10.36,-49.31,;11.7,-50.08,;13.05,-49.31,;14.39,-50.09,;13.05,-47.64,;14.1,-46.56,;6.37,-46.99,;6.37,-45.45,;7.71,-44.68,;5.04,-44.68,;3.71,-45.45,;3.71,-47,;2.58,-48.03,;3.21,-49.42,;4.73,-49.25,;5.04,-47.75,)| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579451 (CHEMBL4864303) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(N)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579435 (CHEMBL4863477) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccncc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (GUINEA PIG)	BDBM50185261 (4-(3,4-dichlorobenzamido)-5-((3-methoxypropyl)(pen...) Show SMILES CCCCCN(CCCOC)C(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 571-5 (1994) BindingDB Entry DOI: 10.7270/Q2WQ029S
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391561 (CHEMBL2147704) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nnnn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C19H26N8OS/c28-18(26-10-11-29-14-26)17-12-16(13-20-17)24-6-8-25(9-7-24)19-21-22-23-27(19)15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2/t16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391559 (CHEMBL2147703) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nccn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C21H28N6OS/c28-20(26-12-13-29-16-26)19-14-18(15-23-19)24-8-10-25(11-9-24)21-22-6-7-27(21)17-4-2-1-3-5-17/h1-7,18-19,23H,8-16H2/t18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391561 (CHEMBL2147704) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nnnn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C19H26N8OS/c28-18(26-10-11-29-14-26)17-12-16(13-20-17)24-6-8-25(9-7-24)19-21-22-23-27(19)15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2/t16-,17-/m0/s1	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391559 (CHEMBL2147703) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nccn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C21H28N6OS/c28-20(26-12-13-29-16-26)19-14-18(15-23-19)24-8-10-25(11-9-24)21-22-6-7-27(21)17-4-2-1-3-5-17/h1-7,18-19,23H,8-16H2/t18-,19-/m0/s1	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	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391565 (CHEMBL2147777) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391570 (CHEMBL2147712) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C22H29FN6OS/c1-16-11-21(29(25-16)18-4-2-3-17(23)12-18)27-7-5-26(6-8-27)19-13-20(24-14-19)22(30)28-9-10-31-15-28/h2-4,11-12,19-20,24H,5-10,13-15H2,1H3/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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391567 (CHEMBL2147709) Show SMILES FC(F)(F)c1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C22H27F3N6OS/c23-22(24,25)19-13-20(31(27-19)16-4-2-1-3-5-16)29-8-6-28(7-9-29)17-12-18(26-14-17)21(32)30-10-11-33-15-30/h1-5,13,17-18,26H,6-12,14-15H2/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391567 (CHEMBL2147709) Show SMILES FC(F)(F)c1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C22H27F3N6OS/c23-22(24,25)19-13-20(31(27-19)16-4-2-1-3-5-16)29-8-6-28(7-9-29)17-12-18(26-14-17)21(32)30-10-11-33-15-30/h1-5,13,17-18,26H,6-12,14-15H2/t17-,18-/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	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50388112 (CHEMBL2058971) Show SMILES FC(F)(F)c1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)c2ccccc2n1 |r| Show InChI InChI=1S/C22H26F3N5OS/c23-22(24,25)20-12-19(16-3-1-2-4-17(16)27-20)29-7-5-28(6-8-29)15-11-18(26-13-15)21(31)30-9-10-32-14-30/h1-4,12,15,18,26H,5-11,13-14H2/t15-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391565 (CHEMBL2147777) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391570 (CHEMBL2147712) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C22H29FN6OS/c1-16-11-21(29(25-16)18-4-2-3-17(23)12-18)27-7-5-26(6-8-27)19-13-20(24-14-19)22(30)28-9-10-31-15-28/h2-4,11-12,19-20,24H,5-10,13-15H2,1H3/t19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391571 (CHEMBL2147713) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1F |r| Show InChI InChI=1S/C22H29FN6OS/c1-16-12-21(29(25-16)20-5-3-2-4-18(20)23)27-8-6-26(7-9-27)17-13-19(24-14-17)22(30)28-10-11-31-15-28/h2-5,12,17,19,24H,6-11,13-15H2,1H3/t17-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50287703 ((E)-1-[(S)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...) Show SMILES OCC[C@@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of adenosine induced negative inotropic activity against guinea-pig atria (Adenosine A1 receptor)				Bioorg Med Chem Lett 6: 2059-2062 (1996) Article DOI: 10.1016/0960-894X(96)00368-X BindingDB Entry DOI: 10.7270/Q25Q4W31
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391576 (CHEMBL2147773) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1cccnc1 |r| Show InChI InChI=1S/C21H29N7OS/c1-16-11-20(28(24-16)17-3-2-4-22-13-17)26-7-5-25(6-8-26)18-12-19(23-14-18)21(29)27-9-10-30-15-27/h2-4,11,13,18-19,23H,5-10,12,14-15H2,1H3/t18-,19-/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	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair

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