Compile Data Set for Download or QSAR

Found 233 hits with Last Name = 'maeda' and Initial = 'm'   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	7.44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from kappa opioid receptor in Hartley guinea pig brain membrane				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50262557 ((5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2cccc3CCn1c23 |r| Show InChI InChI=1S/C28H28N2O3/c31-20-7-6-17-12-21-28(32)13-19-18-3-1-2-16-8-10-30(23(16)18)24(19)26-27(28,22(17)25(20)33-26)9-11-29(21)14-15-4-5-15/h1-3,6-7,15,21,26,31-32H,4-5,8-14H2/t21-,26+,27+,28-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from kappa opioid receptor in Hartley guinea pig brain membrane				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	12.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Hartley guinea pig brain membrane				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50244419 ((4bS,8R,8aS,16bR)-7-(cyclopropylmethyl)-5,6,7,8,8a...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2cccc3CCCn1c23 |r| Show InChI InChI=1S/C29H30N2O3/c32-21-9-8-18-13-22-29(33)14-20-19-5-1-3-17-4-2-11-31(24(17)19)25(20)27-28(29,23(18)26(21)34-27)10-12-30(22)15-16-6-7-16/h1,3,5,8-9,16,22,27,32-33H,2,4,6-7,10-15H2/t22-,27+,28+,29-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from kappa opioid receptor in Hartley guinea pig brain membrane				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50262557 ((5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2cccc3CCn1c23 |r| Show InChI InChI=1S/C28H28N2O3/c31-20-7-6-17-12-21-28(32)13-19-18-3-1-2-16-8-10-30(23(16)18)24(19)26-27(28,22(17)25(20)33-26)9-11-29(21)14-15-4-5-15/h1-3,6-7,15,21,26,31-32H,4-5,8-14H2/t21-,26+,27+,28-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Hartley guinea pig brain membrane				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Binding affinity to guinea pig mu opioid receptor				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	30.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Binding affinity to guinea pig kappa opioid receptor				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50261726 ((5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2cccc3CCCCn1c23 |r| Show InChI InChI=1S/C30H32N2O3/c33-22-10-9-19-14-23-30(34)15-21-20-6-3-5-18-4-1-2-12-32(25(18)20)26(21)28-29(30,24(19)27(22)35-28)11-13-31(23)16-17-7-8-17/h3,5-6,9-10,17,23,28,33-34H,1-2,4,7-8,11-16H2/t23-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from kappa opioid receptor in Hartley guinea pig brain membrane				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50261791 ((5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2c4CCCCc4ccc2c1C[C@@]35O |r| Show InChI InChI=1S/C30H32N2O3/c33-22-10-8-18-13-23-30(34)14-21-20-9-7-17-3-1-2-4-19(17)25(20)31-26(21)28-29(30,24(18)27(22)35-28)11-12-32(23)15-16-5-6-16/h7-10,16,23,28,31,33-34H,1-6,11-15H2/t23-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from kappa opioid receptor in Hartley guinea pig brain membrane				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50244419 ((4bS,8R,8aS,16bR)-7-(cyclopropylmethyl)-5,6,7,8,8a...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2cccc3CCCn1c23 |r| Show InChI InChI=1S/C29H30N2O3/c32-21-9-8-18-13-22-29(33)14-20-19-5-1-3-17-4-2-11-31(24(17)19)25(20)27-28(29,23(18)26(21)34-27)10-12-30(22)15-16-6-7-16/h1,3,5,8-9,16,22,27,32-33H,2,4,6-7,10-15H2/t22-,27+,28+,29-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Hartley guinea pig brain membrane				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase, decarboxylating (Rattus norvegicus)	BDBM50590158 (CHEMBL5174714) Show SMILES NC(=O)c1ccc(N)[n+](c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00404 BindingDB Entry DOI: 10.7270/Q2280CK5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50261726 ((5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2cccc3CCCCn1c23 |r| Show InChI InChI=1S/C30H32N2O3/c33-22-10-9-19-14-23-30(34)15-21-20-6-3-5-18-4-1-2-12-32(25(18)20)26(21)28-29(30,24(19)27(22)35-28)11-13-31(23)16-17-7-8-17/h3,5-6,9-10,17,23,28,33-34H,1-2,4,7-8,11-16H2/t23-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Hartley guinea pig brain membrane				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50261791 ((5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2c4CCCCc4ccc2c1C[C@@]35O |r| Show InChI InChI=1S/C30H32N2O3/c33-22-10-8-18-13-23-30(34)14-21-20-9-7-17-3-1-2-4-19(17)25(20)31-26(21)28-29(30,24(18)27(22)35-28)11-12-32(23)15-16-5-6-16/h7-10,16,23,28,31,33-34H,1-6,11-15H2/t23-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Hartley guinea pig brain membrane				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50262499 ((5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r| Show InChI InChI=1S/C27H28N2O3/c1-31-20-9-8-16-12-21-27(30)13-18-17-4-2-3-5-19(17)28-23(18)25-26(27,22(16)24(20)32-25)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,28,30H,6-7,10-14H2,1H3/t21-,25+,26+,27-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Binding affinity to guinea pig mu opioid receptor				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50245093 ((5R,9R,13S,14S)-17-cyclopropylmethyl-6,7-didehydro...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2cccc3CCCn1c23 |r| Show InChI InChI=1S/C30H32N2O3/c1-34-22-10-9-19-14-23-30(33)15-21-20-6-2-4-18-5-3-12-32(25(18)20)26(21)28-29(30,24(19)27(22)35-28)11-13-31(23)16-17-7-8-17/h2,4,6,9-10,17,23,28,33H,3,5,7-8,11-16H2,1H3/t23-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from kappa opioid receptor in Hartley guinea pig brain membrane				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50261727 ((5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2cccc3CCCCn1c23 |r| Show InChI InChI=1S/C31H34N2O3/c1-35-23-11-10-20-15-24-31(34)16-22-21-7-4-6-19-5-2-3-13-33(26(19)21)27(22)29-30(31,25(20)28(23)36-29)12-14-32(24)17-18-8-9-18/h4,6-7,10-11,18,24,29,34H,2-3,5,8-9,12-17H2,1H3/t24-,29+,30+,31-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from kappa opioid receptor in Hartley guinea pig brain membrane				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50261727 ((5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2cccc3CCCCn1c23 |r| Show InChI InChI=1S/C31H34N2O3/c1-35-23-11-10-20-15-24-31(34)16-22-21-7-4-6-19-5-2-3-13-33(26(19)21)27(22)29-30(31,25(20)28(23)36-29)12-14-32(24)17-18-8-9-18/h4,6-7,10-11,18,24,29,34H,2-3,5,8-9,12-17H2,1H3/t24-,29+,30+,31-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Hartley guinea pig brain membrane				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50245093 ((5R,9R,13S,14S)-17-cyclopropylmethyl-6,7-didehydro...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2cccc3CCCn1c23 |r| Show InChI InChI=1S/C30H32N2O3/c1-34-22-10-9-19-14-23-30(33)15-21-20-6-2-4-18-5-3-12-32(25(18)20)26(21)28-29(30,24(19)27(22)35-28)11-13-31(23)16-17-7-8-17/h2,4,6,9-10,17,23,28,33H,3,5,7-8,11-16H2,1H3/t23-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Hartley guinea pig brain membrane				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50262556 ((5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro...) Show SMILES CCn1c2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c2cccc(C)c12)ccc4OC |r| Show InChI InChI=1S/C30H34N2O3/c1-4-32-25-17(2)6-5-7-20(25)21-15-30(33)23-14-19-10-11-22(34-3)27-24(19)29(30,28(35-27)26(21)32)12-13-31(23)16-18-8-9-18/h5-7,10-11,18,23,28,33H,4,8-9,12-16H2,1-3H3/t23-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Hartley guinea pig brain membrane				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50262499 ((5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r| Show InChI InChI=1S/C27H28N2O3/c1-31-20-9-8-16-12-21-27(30)13-18-17-4-2-3-5-19(17)28-23(18)25-26(27,22(16)24(20)32-25)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,28,30H,6-7,10-14H2,1H3/t21-,25+,26+,27-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Binding affinity to guinea pig kappa opioid receptor				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50262556 ((5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro...) Show SMILES CCn1c2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c2cccc(C)c12)ccc4OC |r| Show InChI InChI=1S/C30H34N2O3/c1-4-32-25-17(2)6-5-7-20(25)21-15-30(33)23-14-19-10-11-22(34-3)27-24(19)29(30,28(35-27)26(21)32)12-13-31(23)16-18-8-9-18/h5-7,10-11,18,23,28,33H,4,8-9,12-16H2,1-3H3/t23-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from kappa opioid receptor in Hartley guinea pig brain membrane				J Med Chem 51: 4404-11 (2008) Article DOI: 10.1021/jm701440h BindingDB Entry DOI: 10.7270/Q2PG1SN2
					More data for this Ligand-Target Pair
Adenylate kinase 2, mitochondrial (Rattus norvegicus)	BDBM50367068 (CHEMBL3350524 | CHEMBL609795) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(NCCCCCCNC(=O)CI)nc12 |r| Show InChI InChI=1S/C18H31IN7O14P3/c19-7-11(27)21-5-3-1-2-4-6-22-18-25-12-15(20)23-9-24-16(12)26(18)17-14(29)13(28)10(38-17)8-37-42(33,34)40-43(35,36)39-41(30,31)32/h9-10,13-14,17,28-29H,1-8H2,(H,21,27)(H,22,25)(H,33,34)(H,35,36)(H2,20,23,24)(H2,30,31,32)/t10-,13-,14-,17?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit rat adenylate kinase II, activity expressed as Inhibition constant				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
					More data for this Ligand-Target Pair
GTP:AMP phosphotransferase AK3, mitochondrial (Rattus norvegicus)	BDBM50027422 (1N-{4-[9-(3,4-dihydroxy-5-hydroxymethyltetrahydro-...) Show SMILES CN(CCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(C)=O Show InChI InChI=1S/C18H31N6O14P3/c1-11(25)22(2)6-4-5-7-23(3)16-13-17(20-9-19-16)24(10-21-13)18-15(27)14(26)12(36-18)8-35-40(31,32)38-41(33,34)37-39(28,29)30/h9-10,12,14-15,18,26-27H,4-8H2,1-3H3,(H,31,32)(H,33,34)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	9.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of adenylate kinase II in rat liver with respect to ATP				J Med Chem 25: 373-81 (1982) BindingDB Entry DOI: 10.7270/Q28P5ZH6
					More data for this Ligand-Target Pair
Adenylate kinase 2, mitochondrial (Rattus norvegicus)	BDBM50027422 (1N-{4-[9-(3,4-dihydroxy-5-hydroxymethyltetrahydro-...) Show SMILES CN(CCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(C)=O Show InChI InChI=1S/C18H31N6O14P3/c1-11(25)22(2)6-4-5-7-23(3)16-13-17(20-9-19-16)24(10-21-13)18-15(27)14(26)12(36-18)8-35-40(31,32)38-41(33,34)37-39(28,29)30/h9-10,12,14-15,18,26-27H,4-8H2,1-3H3,(H,31,32)(H,33,34)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of adenylate kinase III in rat liver with respect to ATP				J Med Chem 25: 373-81 (1982) BindingDB Entry DOI: 10.7270/Q28P5ZH6
					More data for this Ligand-Target Pair
Adenylate kinase 2, mitochondrial (Rattus norvegicus)	BDBM50367067 (CHEMBL3350514 | CHEMBL612174) Show SMILES CN(CCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)CCCCCCNC(=O)CI |r| Show InChI InChI=1S/C25H43IN7O15P3/c1-31(19(35)9-5-3-4-6-10-27-18(34)13-26)11-7-8-12-32(2)23-20-24(29-15-28-23)33(16-30-20)25-22(37)21(36)17(46-25)14-45-50(41,42)48-51(43,44)47-49(38,39)40/h15-17,21-22,25,36-37H,3-14H2,1-2H3,(H,27,34)(H,41,42)(H,43,44)(H2,38,39,40)/t17-,21-,22-,25?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.60E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit rat adenylate kinase II, activity expressed as Inhibition constant				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
					More data for this Ligand-Target Pair
Adenylate kinase 2, mitochondrial (Rattus norvegicus)	BDBM50367066 (CHEMBL3350509 | CHEMBL610373) Show SMILES CN(CCCCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)CCCCCCNC(=O)CI |r| Show InChI InChI=1S/C27H47IN7O15P3/c1-33(21(37)11-7-3-4-8-12-29-20(36)15-28)13-9-5-6-10-14-34(2)25-22-26(31-17-30-25)35(18-32-22)27-24(39)23(38)19(48-27)16-47-52(43,44)50-53(45,46)49-51(40,41)42/h17-19,23-24,27,38-39H,3-16H2,1-2H3,(H,29,36)(H,43,44)(H,45,46)(H2,40,41,42)/t19-,23-,24-,27?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit rat adenylate kinase II, activity expressed as Inhibition constant				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
					More data for this Ligand-Target Pair
Adenylate kinase 2, mitochondrial (Rattus norvegicus)	BDBM50367073 (CHEMBL3350528 | CHEMBL609819) Show SMILES CN(CCCCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)CCCCCNC(=O)CI |r| Show InChI InChI=1S/C26H45IN7O15P3/c1-32(20(36)10-6-5-7-11-28-19(35)14-27)12-8-3-4-9-13-33(2)24-21-25(30-16-29-24)34(17-31-21)26-23(38)22(37)18(47-26)15-46-51(42,43)49-52(44,45)48-50(39,40)41/h16-18,22-23,26,37-38H,3-15H2,1-2H3,(H,28,35)(H,42,43)(H,44,45)(H2,39,40,41)/t18-,22-,23-,26?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.90E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit rat adenylate kinase II, activity expressed as Inhibition constant				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
					More data for this Ligand-Target Pair
GTP:AMP phosphotransferase AK3, mitochondrial (Rattus norvegicus)	BDBM50367067 (CHEMBL3350514 | CHEMBL612174) Show SMILES CN(CCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)CCCCCCNC(=O)CI |r| Show InChI InChI=1S/C25H43IN7O15P3/c1-31(19(35)9-5-3-4-6-10-27-18(34)13-26)11-7-8-12-32(2)23-20-24(29-15-28-23)33(16-30-20)25-22(37)21(36)17(46-25)14-45-50(41,42)48-51(43,44)47-49(38,39)40/h15-17,21-22,25,36-37H,3-14H2,1-2H3,(H,27,34)(H,41,42)(H,43,44)(H2,38,39,40)/t17-,21-,22-,25?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit rat adenylate kinase III, activity expressed as Inhibition constant; Competitive inhibition				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
					More data for this Ligand-Target Pair
GTP:AMP phosphotransferase AK3, mitochondrial (Rattus norvegicus)	BDBM50367066 (CHEMBL3350509 | CHEMBL610373) Show SMILES CN(CCCCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)CCCCCCNC(=O)CI |r| Show InChI InChI=1S/C27H47IN7O15P3/c1-33(21(37)11-7-3-4-8-12-29-20(36)15-28)13-9-5-6-10-14-34(2)25-22-26(31-17-30-25)35(18-32-22)27-24(39)23(38)19(48-27)16-47-52(43,44)50-53(45,46)49-51(40,41)42/h17-19,23-24,27,38-39H,3-16H2,1-2H3,(H,29,36)(H,43,44)(H,45,46)(H2,40,41,42)/t19-,23-,24-,27?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit rat adenylate kinase III, activity expressed as Inhibition constant; Competitive inhibition				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
					More data for this Ligand-Target Pair
GTP:AMP phosphotransferase AK3, mitochondrial (Rattus norvegicus)	BDBM50367073 (CHEMBL3350528 | CHEMBL609819) Show SMILES CN(CCCCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)CCCCCNC(=O)CI |r| Show InChI InChI=1S/C26H45IN7O15P3/c1-32(20(36)10-6-5-7-11-28-19(35)14-27)12-8-3-4-9-13-33(2)24-21-25(30-16-29-24)34(17-31-21)26-23(38)22(37)18(47-26)15-46-51(42,43)49-52(44,45)48-50(39,40)41/h16-18,22-23,26,37-38H,3-15H2,1-2H3,(H,28,35)(H,42,43)(H,44,45)(H2,39,40,41)/t18-,22-,23-,26?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit rat adenylate kinase III, activity expressed as Inhibition constant; Competitive inhibition				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
					More data for this Ligand-Target Pair
Adenylate kinase 2, mitochondrial (Homo sapiens (Human))	BDBM50367071 (CHEMBL607736) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)n1cnc2c(NCCCCCNC(=O)OCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C23H33N6O15P3/c30-18-16(12-41-46(36,37)44-47(38,39)43-45(33,34)35)42-22(19(18)31)29-14-28-17-20(26-13-27-21(17)29)24-9-5-2-6-10-25-23(32)40-11-15-7-3-1-4-8-15/h1,3-4,7-8,13-14,16,18-19,22,30-31H,2,5-6,9-12H2,(H,25,32)(H,36,37)(H,38,39)(H,24,26,27)(H2,33,34,35)/t16-,18-,19-,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	4.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit Escherichia coli adenylate kinase II, activity expressed as Inhibition constant				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
					More data for this Ligand-Target Pair
Adenylate kinase 4, mitochondrial (Homo sapiens (Human))	BDBM50010316 (CHEMBL3251364) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCCCCNC(=O)CI)ncnc12 |r| Show InChI InChI=1S/C17H28IN6O14P3/c18-6-11(25)19-4-2-1-3-5-20-15-12-16(22-8-21-15)24(9-23-12)17-14(27)13(26)10(36-17)7-35-40(31,32)38-41(33,34)37-39(28,29)30/h8-10,13-14,17,26-27H,1-7H2,(H,19,25)(H,31,32)(H,33,34)(H,20,21,22)(H2,28,29,30)/t10-,13-,14-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	4.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit Escherichia coli adenylate kinase III, activity expressed as Inhibition constant; Non competitive inhibition				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
					More data for this Ligand-Target Pair
GTP:AMP phosphotransferase AK3, mitochondrial (Rattus norvegicus)	BDBM50367075 (CHEMBL3350513 | CHEMBL611859) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCNC(=O)CI)ncnc12 |r| Show InChI InChI=1S/C14H22IN6O14P3/c15-3-8(22)16-1-2-17-12-9-13(19-5-18-12)21(6-20-9)14-11(24)10(23)7(33-14)4-32-37(28,29)35-38(30,31)34-36(25,26)27/h5-7,10-11,14,23-24H,1-4H2,(H,16,22)(H,28,29)(H,30,31)(H,17,18,19)(H2,25,26,27)/t7-,10-,11-,14?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	5.90E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit rat adenylate kinase III, activity expressed as Inhibition constant				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
					More data for this Ligand-Target Pair
GTP:AMP phosphotransferase AK3, mitochondrial (Rattus norvegicus)	BDBM50010316 (CHEMBL3251364) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCCCCNC(=O)CI)ncnc12 |r| Show InChI InChI=1S/C17H28IN6O14P3/c18-6-11(25)19-4-2-1-3-5-20-15-12-16(22-8-21-15)24(9-23-12)17-14(27)13(26)10(36-17)7-35-40(31,32)38-41(33,34)37-39(28,29)30/h8-10,13-14,17,26-27H,1-7H2,(H,19,25)(H,31,32)(H,33,34)(H,20,21,22)(H2,28,29,30)/t10-,13-,14-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit rat adenylate kinase III, activity expressed as Inhibition constant; Competitive inhibition				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
					More data for this Ligand-Target Pair
Adenylate kinase 2, mitochondrial (Homo sapiens (Human))	BDBM50367065 (CHEMBL608643) Show SMILES CC(=O)NCCCCCCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H32N7O14P3/c1-10(26)20-6-4-2-3-5-7-21-18-24-12-15(19)22-9-23-16(12)25(18)17-14(28)13(27)11(37-17)8-36-41(32,33)39-42(34,35)38-40(29,30)31/h9,11,13-14,17,27-28H,2-8H2,1H3,(H,20,26)(H,21,24)(H,32,33)(H,34,35)(H2,19,22,23)(H2,29,30,31)/t11-,13-,14-,17?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit Escherichia coli adenylate kinase II, activity expressed as Inhibition constant				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
					More data for this Ligand-Target Pair
Adenylate kinase 2, mitochondrial (Homo sapiens (Human))	BDBM50367072 (CHEMBL3350534 | CHEMBL610134) Show SMILES CN(CCCN(C)C(=O)CCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)CCCCNC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H51N8O17P3/c1-39(17-10-18-40(2)26(43)14-7-9-16-35-33(46)54-19-23-11-4-3-5-12-23)25(42)13-6-8-15-34-30-27-31(37-21-36-30)41(22-38-27)32-29(45)28(44)24(56-32)20-55-60(50,51)58-61(52,53)57-59(47,48)49/h3-5,11-12,21-22,24,28-29,32,44-45H,6-10,13-20H2,1-2H3,(H,35,46)(H,50,51)(H,52,53)(H,34,36,37)(H2,47,48,49)/t24-,28-,29-,32?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit Escherichia coli adenylate kinase II, activity expressed as Inhibition constant				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
					More data for this Ligand-Target Pair
Adenylate kinase 2, mitochondrial (Homo sapiens (Human))	BDBM50367070 (CHEMBL609238) Show SMILES NCCCCCCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H30N7O13P3/c17-5-3-1-2-4-6-19-16-22-10-13(18)20-8-21-14(10)23(16)15-12(25)11(24)9(34-15)7-33-38(29,30)36-39(31,32)35-37(26,27)28/h8-9,11-12,15,24-25H,1-7,17H2,(H,19,22)(H,29,30)(H,31,32)(H2,18,20,21)(H2,26,27,28)/t9-,11-,12-,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	7.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit Escherichia coli adenylate kinase II, activity expressed as Inhibition constant				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
					More data for this Ligand-Target Pair
Adenylate kinase 2, mitochondrial (Rattus norvegicus)	BDBM50367069 (CHEMBL3350522 | CHEMBL609792) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCCCCCNC(=O)CI)ncnc12 |r| Show InChI InChI=1S/C18H30IN6O14P3/c19-7-12(26)20-5-3-1-2-4-6-21-16-13-17(23-9-22-16)25(10-24-13)18-15(28)14(27)11(37-18)8-36-41(32,33)39-42(34,35)38-40(29,30)31/h9-11,14-15,18,27-28H,1-8H2,(H,20,26)(H,32,33)(H,34,35)(H,21,22,23)(H2,29,30,31)/t11-,14-,15-,18?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	7.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit rat adenylate kinase II, activity expressed as Inhibition constant				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072905 (CHEMBL3410078) Show SMILES Oc1ccccc1Oc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1 Show InChI InChI=1S/C28H29N5O4/c34-24-3-1-2-4-25(24)37-26-15-22(29-16-18-11-13-36-14-12-18)27-30-17-23(33(27)32-26)19-5-7-20(8-6-19)28(35)31-21-9-10-21/h1-8,15,17-18,21,29,34H,9-14,16H2,(H,31,35)	PDB MMDB 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
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072911 (CHEMBL3410084) Show SMILES CC(C)(Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1)C(F)(F)F Show InChI InChI=1S/C26H31F3N6O2/c1-25(2,26(27,28)29)33-22-13-20(30-14-16-9-11-37-12-10-16)23-31-15-21(35(23)34-22)17-3-5-18(6-4-17)24(36)32-19-7-8-19/h3-6,13,15-16,19,30H,7-12,14H2,1-2H3,(H,32,36)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072900 (CHEMBL3410073) Show SMILES Nc1cc(ccc1-c1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1)C#N Show InChI InChI=1S/C29H29N7O2/c30-15-19-1-8-23(24(31)13-19)25-14-26(32-16-18-9-11-38-12-10-18)28-33-17-27(36(28)35-25)20-2-4-21(5-3-20)29(37)34-22-6-7-22/h1-5,8,13-14,17-18,22,32H,6-7,9-12,16,31H2,(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50386816 (CHEMBL2047943) Show SMILES Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1 Show InChI InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of human MPS1 expressed in Escherichia coli				J Med Chem 56: 4343-56 (2013) Article DOI: 10.1021/jm4000215 BindingDB Entry DOI: 10.7270/Q2SF2XJB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072900 (CHEMBL3410073) Show SMILES Nc1cc(ccc1-c1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1)C#N Show InChI InChI=1S/C29H29N7O2/c30-15-19-1-8-23(24(31)13-19)25-14-26(32-16-18-9-11-38-12-10-18)28-33-17-27(36(28)35-25)20-2-4-21(5-3-20)29(37)34-22-6-7-22/h1-5,8,13-14,17-18,22,32H,6-7,9-12,16,31H2,(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072905 (CHEMBL3410078) Show SMILES Oc1ccccc1Oc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1 Show InChI InChI=1S/C28H29N5O4/c34-24-3-1-2-4-25(24)37-26-15-22(29-16-18-11-13-36-14-12-18)27-30-17-23(33(27)32-26)19-5-7-20(8-6-19)28(35)31-21-9-10-21/h1-8,15,17-18,21,29,34H,9-14,16H2,(H,31,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072911 (CHEMBL3410084) Show SMILES CC(C)(Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1)C(F)(F)F Show InChI InChI=1S/C26H31F3N6O2/c1-25(2,26(27,28)29)33-22-13-20(30-14-16-9-11-37-12-10-16)23-31-15-21(35(23)34-22)17-3-5-18(6-4-17)24(36)32-19-7-8-19/h3-6,13,15-16,19,30H,7-12,14H2,1-2H3,(H,32,36)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50433907 (CHEMBL2380582) Show SMILES CCOc1cc2c(n[nH]c2cc1-c1cnn(C)c1)-c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C19H19N5O3S/c1-3-27-18-9-16-17(8-15(18)13-10-21-24(2)11-13)22-23-19(16)12-5-4-6-14(7-12)28(20,25)26/h4-11H,3H2,1-2H3,(H,22,23)(H2,20,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA				J Med Chem 56: 4343-56 (2013) Article DOI: 10.1021/jm4000215 BindingDB Entry DOI: 10.7270/Q2SF2XJB
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072910 (CHEMBL3410083) Show SMILES CC(C)(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1 Show InChI InChI=1S/C26H34N6O2/c1-26(2,3)30-23-14-21(27-15-17-10-12-34-13-11-17)24-28-16-22(32(24)31-23)18-4-6-19(7-5-18)25(33)29-20-8-9-20/h4-7,14,16-17,20,27H,8-13,15H2,1-3H3,(H,29,33)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072902 (CHEMBL3410075) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(Oc3ccccc3)nn12 Show InChI InChI=1S/C28H29N5O3/c34-28(31-22-10-11-22)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-35-15-13-19)16-26(32-33(25)27)36-23-4-2-1-3-5-23/h1-9,16,18-19,22,29H,10-15,17H2,(H,31,34)	PDB MMDB 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
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50433906 (CHEMBL2380583) Show SMILES CCOc1cc2c(n[nH]c2cc1-c1cnn(C)c1)-c1ccc(C)c(c1)S(N)(=O)=O Show InChI InChI=1S/C20H21N5O3S/c1-4-28-18-9-16-17(8-15(18)14-10-22-25(3)11-14)23-24-20(16)13-6-5-12(2)19(7-13)29(21,26)27/h5-11H,4H2,1-3H3,(H,23,24)(H2,21,26,27)	PDB MMDB 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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA				J Med Chem 56: 4343-56 (2013) Article DOI: 10.1021/jm4000215 BindingDB Entry DOI: 10.7270/Q2SF2XJB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072904 (CHEMBL3410077) Show SMILES Fc1ccccc1Oc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1 Show InChI InChI=1S/C28H28FN5O3/c29-22-3-1-2-4-25(22)37-26-15-23(30-16-18-11-13-36-14-12-18)27-31-17-24(34(27)33-26)19-5-7-20(8-6-19)28(35)32-21-9-10-21/h1-8,15,17-18,21,30H,9-14,16H2,(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair

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