Compile Data Set for Download or QSAR

Found 1476 hits with Last Name = 'larsen' and Initial = 's'   

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
6-phosphogluconate dehydrogenase, decarboxylating (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50148767 (2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...) Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase				Bioorg Med Chem Lett 21: 2679-82 (2011) Article DOI: 10.1016/j.bmcl.2010.12.066 BindingDB Entry DOI: 10.7270/Q20C4W2K
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50228744 (5-Hydroxy-Diclofenac | CHEBI:59612) Show SMILES OC(=O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl Show InChI InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair				3D Structure (crystal)
6-phosphogluconate dehydrogenase, decarboxylating (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50148780 (((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dio...) Show SMILES CC1(C)O[C@H](COP(O)(O)=O)[C@@H](O1)C(=O)NO Show InChI InChI=1S/C7H14NO8P/c1-7(2)15-4(3-14-17(11,12)13)5(16-7)6(9)8-10/h4-5,10H,3H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase				Bioorg Med Chem Lett 21: 2679-82 (2011) Article DOI: 10.1016/j.bmcl.2010.12.066 BindingDB Entry DOI: 10.7270/Q20C4W2K
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50228744 (5-Hydroxy-Diclofenac | CHEBI:59612) Show SMILES OC(=O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl Show InChI InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588632 (CHEMBL5176248) Show SMILES OC1c2ccc(\C=C\c3ccccc3)cc2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588632 (CHEMBL5176248) Show SMILES OC1c2ccc(\C=C\c3ccccc3)cc2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588627 (CHEMBL5177983) Show SMILES OC1c2ccc(I)cc2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588624 (CHEMBL5189628) Show SMILES OC1c2ccc(Cl)cc2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588632 (CHEMBL5176248) Show SMILES OC1c2ccc(\C=C\c3ccccc3)cc2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588632 (CHEMBL5176248) Show SMILES OC1c2ccc(\C=C\c3ccccc3)cc2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588622 (CHEMBL5170394) Show SMILES OC1c2ccc(Br)cc2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588622 (CHEMBL5170394) Show SMILES OC1c2ccc(Br)cc2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588624 (CHEMBL5189628) Show SMILES OC1c2ccc(Cl)cc2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588627 (CHEMBL5177983) Show SMILES OC1c2ccc(I)cc2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50459608 (CHEBI:90441 | CHEMBL3276621) Show SMILES ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl Show InChI InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human ALDH1A2				J Med Chem 61: 8754-8773 (2018) Article DOI: 10.1021/acs.jmedchem.8b00930 BindingDB Entry DOI: 10.7270/Q2V127F6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588634 (CHEMBL5182530) Show SMILES OC1c2cccc(CCc3ccccc3)c2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588634 (CHEMBL5182530) Show SMILES OC1c2cccc(CCc3ccccc3)c2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588622 (CHEMBL5170394) Show SMILES OC1c2ccc(Br)cc2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588622 (CHEMBL5170394) Show SMILES OC1c2ccc(Br)cc2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588629 (CHEMBL5170093) Show SMILES OC1c2ccc(cc2CCC\C1=C/C(O)=O)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588629 (CHEMBL5170093) Show SMILES OC1c2ccc(cc2CCC\C1=C/C(O)=O)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588631 (CHEMBL5182678) Show SMILES OC1c2cccc(\C=C\c3ccccc3)c2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase, decarboxylating (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50148765 (1-(hydroxyamino)-1-oxo-4-(phosphonooxy)butane-2,3-...) Show SMILES CC(=O)O[C@H](COP(O)(O)=O)[C@@H](OC(C)=O)C(=O)NO Show InChI InChI=1S/C8H14NO10P/c1-4(10)18-6(3-17-20(14,15)16)7(8(12)9-13)19-5(2)11/h6-7,13H,3H2,1-2H3,(H,9,12)(H2,14,15,16)/t6-,7-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase				Bioorg Med Chem Lett 21: 2679-82 (2011) Article DOI: 10.1016/j.bmcl.2010.12.066 BindingDB Entry DOI: 10.7270/Q20C4W2K
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588631 (CHEMBL5182678) Show SMILES OC1c2cccc(\C=C\c3ccccc3)c2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588633 (CHEMBL5198432) Show SMILES OC1c2cccc(\C=C\c3c(Cl)cccc3Cl)c2CCC\C1=C/C(O)=O Show InChI	PDB 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/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588626 (CHEMBL5175633) Show SMILES OC1c2ccc(F)cc2CCC\C1=C/C(O)=O Show InChI	PDB 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/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Glucose-6-phosphate isomerase (Oryctolagus cuniculus)	BDBM50342610 ((2R,3R,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxo...) Show SMILES ONC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O |r| Show InChI InChI=1S/C5H12NO9P/c7-2(1-15-16(12,13)14)3(8)4(9)5(10)6-11/h2-4,7-9,11H,1H2,(H,6,10)(H2,12,13,14)/t2-,3-,4+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of rabbit cytosolic phosphoglucose isomerase				Bioorg Med Chem Lett 21: 2679-82 (2011) Article DOI: 10.1016/j.bmcl.2010.12.066 BindingDB Entry DOI: 10.7270/Q20C4W2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588626 (CHEMBL5175633) Show SMILES OC1c2ccc(F)cc2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt 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									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588633 (CHEMBL5198432) Show SMILES OC1c2cccc(\C=C\c3c(Cl)cccc3Cl)c2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt 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									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Rattus norvegicus (rat))	BDBM13614 (2-(carboxymethoxy)-5-[(2S)-2-(pentylcarbamoyl)-2-[...) Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1[nH]ncc1=S |r| Show InChI InChI=1S/C30H36N6O8S/c1-2-3-7-12-31-28(40)22(15-20-10-11-24(44-18-27(38)39)21(13-20)30(42)43)34-29(41)23(14-19-8-5-4-6-9-19)33-25(37)17-36-26(45)16-32-35-36/h4-6,8-11,13,16,22-23,35H,2-3,7,12,14-15,17-18H2,1H3,(H,31,40)(H,33,37)(H,34,41)(H,38,39)(H,42,43)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	-39.1	n/a	n/a	n/a	n/a	n/a	7.2	22
Pharmacia Corporation					Assay Description Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...				Biochemistry 40: 5642-54 (2001) Article DOI: 10.1021/bi002865v BindingDB Entry DOI: 10.7270/Q2D50K6S
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588620 (CHEMBL2431324) Show SMILES OC1CCC(=C1)C(O)=O |c:4| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588629 (CHEMBL5170093) Show SMILES OC1c2ccc(cc2CCC\C1=C/C(O)=O)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588629 (CHEMBL5170093) Show SMILES OC1c2ccc(cc2CCC\C1=C/C(O)=O)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588620 (CHEMBL2431324) Show SMILES OC1CCC(=C1)C(O)=O |c:4| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50240720 ((2S,3S,4S,5R,6S)-6-(4-((2S,3R)-1-(4-fluorophenyl)-...) Show SMILES O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H29F2NO9/c31-17-5-1-15(2-6-17)22(34)14-13-21-23(33(28(21)38)19-9-7-18(32)8-10-19)16-3-11-20(12-4-16)41-30-26(37)24(35)25(36)27(42-30)29(39)40/h1-12,21-27,30,34-37H,13-14H2,(H,39,40)/t21-,22+,23-,24+,25+,26-,27+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371521 (EZETIMIBE) Show SMILES O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM13611 (2-(carboxymethoxy)-5-[(2S)-2-[(2S)-2-(3-formamidop...) Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(O)=O |r| Show InChI InChI=1S/C30H37N3O10/c1-2-3-7-14-31-28(39)22(17-20-10-11-24(43-18-27(37)38)21(15-20)30(41)42)33-29(40)23(16-19-8-5-4-6-9-19)32-25(34)12-13-26(35)36/h4-6,8-11,15,22-23H,2-3,7,12-14,16-18H2,1H3,(H,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)(H,41,42)/t22-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Inhibitory activity against human protein tyrosine phosphatase 1B (PTP1B)				Bioorg Med Chem Lett 13: 971-5 (2003) BindingDB Entry DOI: 10.7270/Q24M93WC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588621 (CHEMBL5201182) Show SMILES OC1c2cccc(Br)c2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588621 (CHEMBL5201182) Show SMILES OC1c2cccc(Br)c2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Rattus norvegicus (rat))	BDBM13611 (2-(carboxymethoxy)-5-[(2S)-2-[(2S)-2-(3-formamidop...) Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(O)=O |r| Show InChI InChI=1S/C30H37N3O10/c1-2-3-7-14-31-28(39)22(17-20-10-11-24(43-18-27(37)38)21(15-20)30(41)42)33-29(40)23(16-19-8-5-4-6-9-19)32-25(34)12-13-26(35)36/h4-6,8-11,15,22-23H,2-3,7,12-14,16-18H2,1H3,(H,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)(H,41,42)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	250	-37.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Pharmacia Corporation					Assay Description Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...				Biochemistry 40: 5642-54 (2001) Article DOI: 10.1021/bi002865v BindingDB Entry DOI: 10.7270/Q2D50K6S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50459608 (CHEBI:90441 | CHEMBL3276621) Show SMILES ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl Show InChI InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	261	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human ALDH1A3				J Med Chem 61: 8754-8773 (2018) Article DOI: 10.1021/acs.jmedchem.8b00930 BindingDB Entry DOI: 10.7270/Q2V127F6
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50459608 (CHEBI:90441 | CHEMBL3276621) Show SMILES ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl Show InChI InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	285	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human ALDH1A1				J Med Chem 61: 8754-8773 (2018) Article DOI: 10.1021/acs.jmedchem.8b00930 BindingDB Entry DOI: 10.7270/Q2V127F6
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588625 (CHEMBL5208394) Show SMILES Cc1ccc2C(O)\C(CCCc2c1)=C\C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588625 (CHEMBL5208394) Show SMILES Cc1ccc2C(O)\C(CCCc2c1)=C\C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50246040 ((E,RS)-(6,7,8,9-tetrahydro-5-hydroxy-5H-benzocyclo...) Show SMILES OC1c2ccccc2CCC\C1=C/C(O)=O Show InChI InChI=1S/C13H14O3/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16/h1-2,4,7-8,13,16H,3,5-6H2,(H,14,15)/b10-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase, decarboxylating (Ovis aries)	BDBM50148765 (1-(hydroxyamino)-1-oxo-4-(phosphonooxy)butane-2,3-...) Show SMILES CC(=O)O[C@H](COP(O)(O)=O)[C@@H](OC(C)=O)C(=O)NO Show InChI InChI=1S/C8H14NO10P/c1-4(10)18-6(3-17-20(14,15)16)7(8(12)9-13)19-5(2)11/h6-7,13H,3H2,1-2H3,(H,9,12)(H2,14,15,16)/t6-,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of sheep 6-phosphogluconate dehydrogenase				Bioorg Med Chem Lett 21: 2679-82 (2011) Article DOI: 10.1016/j.bmcl.2010.12.066 BindingDB Entry DOI: 10.7270/Q20C4W2K
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588628 (CHEMBL5196579) Show SMILES OC1c2cccc(-c3ccccc3)c2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50459601 (CHEMBL4217738) Show SMILES Cc1ccccc1-n1c(SCc2cccc(F)c2)nc2[nH]ncc2c1=O |(15.24,-30.22,;16.57,-30.99,;17.9,-30.22,;19.24,-30.99,;19.24,-32.53,;17.9,-33.3,;16.57,-32.52,;15.24,-33.28,;15.24,-34.82,;16.58,-35.59,;16.57,-37.13,;17.91,-37.91,;17.9,-39.45,;19.23,-40.22,;20.57,-39.45,;20.56,-37.9,;21.9,-37.13,;19.23,-37.14,;13.91,-35.59,;12.59,-34.82,;11.12,-35.31,;10.21,-34.07,;11.11,-32.82,;12.58,-33.28,;13.91,-32.51,;13.92,-30.96,)| Show InChI InChI=1S/C19H15FN4OS/c1-12-5-2-3-8-16(12)24-18(25)15-10-21-23-17(15)22-19(24)26-11-13-6-4-7-14(20)9-13/h2-10H,11H2,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Non-competitive inhibition of human recombinant ALDH1A1 assessed as reduction of NAD(P)H formation using varying levels of NAD+				J Med Chem 61: 8754-8773 (2018) Article DOI: 10.1021/acs.jmedchem.8b00930 BindingDB Entry DOI: 10.7270/Q2V127F6
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50588628 (CHEMBL5196579) Show SMILES OC1c2cccc(-c3ccccc3)c2CCC\C1=C/C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00805 BindingDB Entry DOI: 10.7270/Q2KP863N
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50133557 (1-[2-(2,6-Dichloro-benzyl)-thiazol-4-yl]-3-morphol...) Show SMILES Clc1cccc(Cl)c1Cc1nc(NC(=O)NN2CCOCC2)cs1 Show InChI InChI=1S/C15H16Cl2N4O2S/c16-11-2-1-3-12(17)10(11)8-14-18-13(9-24-14)19-15(22)20-21-4-6-23-7-5-21/h1-3,9H,4-8H2,(H2,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Inhibition of Tau Protein Kinase II (TPK II)				Bioorg Med Chem Lett 13: 3491-5 (2003) BindingDB Entry DOI: 10.7270/Q2XG9QHN
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1476 total )  |  Next  |  Last  >>

Jump to: