Compile Data Set for Download or QSAR

Found 636 hits with Last Name = 'jensen' and Initial = 'j'   

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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29100 (dibenzothiazepine, 12h) Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(F)c(Cl)c1 |c:19| Show InChI InChI=1S/C24H20ClFN2OS/c1-2-3-12-27-24(29)16-9-11-22-20(14-16)28-23(15-8-10-19(26)18(25)13-15)17-6-4-5-7-21(17)30-22/h4-11,13-14H,2-3,12H2,1H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	-54.8	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29098 (dibenzothiazepine, 12e) Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)cc1 |c:19| Show InChI InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)17-10-13-22-20(15-17)27-23(16-8-11-18(25)12-9-16)19-6-4-5-7-21(19)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	-54.8	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29096 (dibenzothiazepine, 12b) Show SMILES Clc1cccc(CNC(=O)c2ccc3Sc4ccccc4C(=Nc3c2)N2CCCCC2)c1 |c:22| Show InChI InChI=1S/C26H24ClN3OS/c27-20-8-6-7-18(15-20)17-28-26(31)19-11-12-24-22(16-19)29-25(30-13-4-1-5-14-30)21-9-2-3-10-23(21)32-24/h2-3,6-12,15-16H,1,4-5,13-14,17H2,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.320	-53.6	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29097 (dibenzothiazepine, 12c) Show SMILES FC1(F)CCN(CC1)C1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCc1cccc(Cl)c1 |t:9| Show InChI InChI=1S/C26H22ClF2N3OS/c27-19-5-3-4-17(14-19)16-30-25(33)18-8-9-23-21(15-18)31-24(20-6-1-2-7-22(20)34-23)32-12-10-26(28,29)11-13-32/h1-9,14-15H,10-13,16H2,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.790	-51.4	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29101 (dibenzothiazepine, 12j) Show SMILES CC(C)CNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)s1 |c:19| Show InChI InChI=1S/C22H19ClN2OS2/c1-13(2)12-24-22(26)14-7-8-18-16(11-14)25-21(19-9-10-20(23)28-19)15-5-3-4-6-17(15)27-18/h3-11,13H,12H2,1-2H3,(H,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	1.20	-50.4	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29102 (dibenzothiazepine, 12k) Show SMILES CC(C)CCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccccn1 |c:20| Show InChI InChI=1S/C24H23N3OS/c1-16(2)12-14-26-24(28)17-10-11-22-20(15-17)27-23(19-8-5-6-13-25-19)18-7-3-4-9-21(18)29-22/h3-11,13,15-16H,12,14H2,1-2H3,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	1.60	-49.7	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	2	-49.2	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50355500 (CHEMBL1908394 | US9695172, GSK461364) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PLK1 (1 to 603 residues) using casein as substrate preincubated for 60 mins followed by polo box peptide ...				J Med Chem 60: 7863-7875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00996 BindingDB Entry DOI: 10.7270/Q26112G9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29094 ((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...) Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18| Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	-48.2	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29095 (dibenzothiazepine, 12a) Show SMILES O=C(NN1CCCCC1)c1ccc2Sc3ccccc3C(=Nc2c1)C1CCCCC1 |c:22| Show InChI InChI=1S/C25H29N3OS/c29-25(27-28-15-7-2-8-16-28)19-13-14-23-21(17-19)26-24(18-9-3-1-4-10-18)20-11-5-6-12-22(20)30-23/h5-6,11-14,17-18H,1-4,7-10,15-16H2,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	3	-48.2	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50605613 (CHEMBL5206854) Show SMILES OC(=O)Cc1cc(O)ccc1Oc1ccc(cc1Cl)[N+]([O-])=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50605613 (CHEMBL5206854) Show SMILES OC(=O)Cc1cc(O)ccc1Oc1ccc(cc1Cl)[N+]([O-])=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50605602 (CHEMBL5175277) Show SMILES OC(=O)Cc1ccc(O)cc1Nc1c(Cl)cccc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					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)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29099 (dibenzothiazepine, 12g) Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccccc1Cl |c:19| Show InChI InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)16-12-13-22-20(15-16)27-23(17-8-4-6-10-19(17)25)18-9-5-7-11-21(18)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	25	-43.0	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50605603 (CHEMBL5191835) Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50605603 (CHEMBL5191835) Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50605609 (CHEMBL5196669) Show SMILES OC(=O)Cc1ccc(O)cc1Oc1c(Cl)cccc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50605611 (CHEMBL5178954) Show SMILES OC(=O)Cc1cc(O)ccc1Oc1ccccc1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50605609 (CHEMBL5196669) Show SMILES OC(=O)Cc1ccc(O)cc1Oc1c(Cl)cccc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50605611 (CHEMBL5178954) Show SMILES OC(=O)Cc1cc(O)ccc1Oc1ccccc1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					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))	BDBM50605602 (CHEMBL5175277) Show SMILES OC(=O)Cc1ccc(O)cc1Nc1c(Cl)cccc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Homo sapiens (Human))	BDBM50605602 (CHEMBL5175277) Show SMILES OC(=O)Cc1ccc(O)cc1Nc1c(Cl)cccc1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					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))	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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29103 (dibenzothiazepine, 13) Show SMILES CCCC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)cc1 |c:17| Show InChI InChI=1S/C23H18ClNOS/c1-2-5-20(26)16-10-13-22-19(14-16)25-23(15-8-11-17(24)12-9-15)18-6-3-4-7-21(18)27-22/h3-4,6-14H,2,5H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	-41.8	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50605608 (CHEMBL5181927) Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	47	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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50605608 (CHEMBL5181927) Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1 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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50605603 (CHEMBL5191835) Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1Cl 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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					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))	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))	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
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50605603 (CHEMBL5191835) Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1Cl 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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					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))	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))	BDBM50605610 (CHEMBL5172225) Show SMILES OC(=O)Cc1cc(O)ccc1Oc1c(Cl)cccc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50605605 (CHEMBL5198167) Show SMILES Oc1ccc(Oc2ccccc2Cl)c(Cc2nnn[nH]2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50605605 (CHEMBL5198167) Show SMILES Oc1ccc(Oc2ccccc2Cl)c(Cc2nnn[nH]2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50605610 (CHEMBL5172225) Show SMILES OC(=O)Cc1cc(O)ccc1Oc1c(Cl)cccc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM50605607 (CHEMBL5181512) Show SMILES OC(=O)Cc1ccc(O)cc1Sc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	77	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.1c02177 BindingDB Entry DOI: 10.7270/Q2GQ72VW
					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))	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

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