Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'dodd' and Initial = 'rh'   

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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445231 (CHEMBL3102950) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1 Show InChI InChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445230 (CHEMBL3102951) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1O Show InChI InChI=1S/C19H14N2O3/c22-13-3-1-11(2-4-13)17-10-21-19-16(17)7-12(9-20-19)15-6-5-14(23)8-18(15)24/h1-10,22-24H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445229 (CHEMBL3102953) Show SMILES Oc1ccc(c(O)c1)-c1cnc2[nH]cc(-c3ccc(O)c(O)c3)c2c1 Show InChI InChI=1S/C19H14N2O4/c22-12-2-3-13(17(24)7-12)11-5-14-15(9-21-19(14)20-8-11)10-1-4-16(23)18(25)6-10/h1-9,22-25H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445227 (CHEMBL3102955) Show SMILES Oc1ccc(cc1O)-c1c[nH]c2ncc(cc12)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H14N2O4/c22-15-3-1-10(6-17(15)24)12-5-13-14(9-21-19(13)20-8-12)11-2-4-16(23)18(25)7-11/h1-9,22-25H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445228 (CHEMBL3102954) Show SMILES Oc1ccc(O)c(c1)-c1cnc2[nH]cc(-c3ccc(O)c(O)c3)c2c1 Show InChI InChI=1S/C19H14N2O4/c22-12-2-4-16(23)13(7-12)11-5-14-15(9-21-19(14)20-8-11)10-1-3-17(24)18(25)6-10/h1-9,22-25H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569703 (CHEMBL4851703) Show SMILES Oc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569685 (CHEMBL4877631) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccc(I)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569681 (CHEMBL4867398) Show SMILES C(Oc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569680 (CHEMBL4862416) Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569686 (CHEMBL4868540) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1cc(Cl)cc(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569689 (CHEMBL4855728) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Br)cc1)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569696 (CHEMBL4867248) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569690 (CHEMBL4876416) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569699 (CHEMBL4855195) Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccc(OC)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569698 (CHEMBL4855265) Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569692 (CHEMBL4864504) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569688 (CHEMBL4848727) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569697 (CHEMBL4860974) Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccc(Cl)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569687 (CHEMBL4862171) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569691 (CHEMBL4866009) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569684 (CHEMBL4865343) Show SMILES C1C(N(\C1=N\c1ccccc1)c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569682 (CHEMBL4849131) Show SMILES COc1cccc(c1)N1C(C\C1=N/c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569679 (CHEMBL4855927) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569683 (CHEMBL4849406) Show SMILES C1C(N(\C1=N\c1ccccc1)c1ccc2OCCOc2c1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569702 (CHEMBL4864325) Show SMILES Clc1ccc(C2C\C(=N/c3ccc(I)cc3)N2c2ccc(OCc3ccccc3)cc2)c(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569704 (CHEMBL4848912) Show SMILES OCc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569694 (CHEMBL4876790) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Cl)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569705 (CHEMBL4853896) Show SMILES OC(=O)c1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569695 (CHEMBL4875502) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Br)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569701 (CHEMBL4872507) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(I)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569693 (CHEMBL4854293) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569700 (CHEMBL4872541) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445232 (CHEMBL3102952) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H14N2O3/c22-14-4-1-11(2-5-14)16-10-21-19-15(16)7-13(9-20-19)12-3-6-17(23)18(24)8-12/h1-10,22-24H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445232 (CHEMBL3102952) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H14N2O3/c22-14-4-1-11(2-5-14)16-10-21-19-15(16)7-13(9-20-19)12-3-6-17(23)18(24)8-12/h1-10,22-24H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445230 (CHEMBL3102951) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1O Show InChI InChI=1S/C19H14N2O3/c22-13-3-1-11(2-4-13)17-10-21-19-16(17)7-12(9-20-19)15-6-5-14(23)8-18(15)24/h1-10,22-24H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445227 (CHEMBL3102955) Show SMILES Oc1ccc(cc1O)-c1c[nH]c2ncc(cc12)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H14N2O4/c22-15-3-1-10(6-17(15)24)12-5-13-14(9-21-19(13)20-8-12)11-2-4-16(23)18(25)7-11/h1-9,22-25H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445229 (CHEMBL3102953) Show SMILES Oc1ccc(c(O)c1)-c1cnc2[nH]cc(-c3ccc(O)c(O)c3)c2c1 Show InChI InChI=1S/C19H14N2O4/c22-12-2-3-13(17(24)7-12)11-5-14-15(9-21-19(14)20-8-11)10-1-4-16(23)18(25)6-10/h1-9,22-25H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445231 (CHEMBL3102950) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1 Show InChI InChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445227 (CHEMBL3102955) Show SMILES Oc1ccc(cc1O)-c1c[nH]c2ncc(cc12)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H14N2O4/c22-15-3-1-10(6-17(15)24)12-5-13-14(9-21-19(13)20-8-12)11-2-4-16(23)18(25)7-11/h1-9,22-25H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM100152 (7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...) Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Competitive inhibition of DYRK1A (unknown origin) using ATP				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445228 (CHEMBL3102954) Show SMILES Oc1ccc(O)c(c1)-c1cnc2[nH]cc(-c3ccc(O)c(O)c3)c2c1 Show InChI InChI=1S/C19H14N2O4/c22-12-2-4-16(23)13(7-12)11-5-14-15(9-21-19(14)20-8-11)10-1-3-17(24)18(25)6-10/h1-9,22-25H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445231 (CHEMBL3102950) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1 Show InChI InChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445230 (CHEMBL3102951) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1O Show InChI InChI=1S/C19H14N2O3/c22-13-3-1-11(2-4-13)17-10-21-19-16(17)7-12(9-20-19)15-6-5-14(23)8-18(15)24/h1-10,22-24H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445233 (CHEMBL3102956) Show SMILES Oc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(O)c1 Show InChI InChI=1S/C19H14N2O2/c22-15-5-1-3-12(7-15)14-9-17-18(11-21-19(17)20-10-14)13-4-2-6-16(23)8-13/h1-11,22-23H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445226 (CHEMBL3102957) Show SMILES Oc1ccc(c(O)c1)-c1cnc2[nH]cc(-c3ccccc3)c2c1 Show InChI InChI=1S/C19H14N2O2/c22-14-6-7-15(18(23)9-14)13-8-16-17(11-21-19(16)20-10-13)12-4-2-1-3-5-12/h1-11,22-23H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445241 (CHEMBL3102942) Show SMILES Oc1ccc(cc1O)-c1cnc2[nH]cc(-c3ccccc3)c2c1 Show InChI InChI=1S/C19H14N2O2/c22-17-7-6-13(9-18(17)23)14-8-15-16(11-21-19(15)20-10-14)12-4-2-1-3-5-12/h1-11,22-23H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50445253 (CHEMBL1232500) Show SMILES CCN1C(Sc2ccc(O)cc12)=CC(C)=O |w:12.14| Show InChI InChI=1S/C12H13NO2S/c1-3-13-10-7-9(15)4-5-11(10)16-12(13)6-8(2)14/h4-7,15H,3H2,1-2H3	PDB MMDB Reactome pathway 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	240	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Competitive inhibition of DYRK1A (unknown origin) using ATP				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50193410 (CHEMBL536975 | N-[(1S,2S)-2-((R)-1-naphthalen-1-yl...) Show SMILES C[C@@H](N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12 Show InChI InChI=1S/C26H27F3N2O2/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)30-23-11-4-5-12-24(23)31-25(32)19-13-15-20(16-14-19)33-26(27,28)29/h2-3,6-10,13-17,23-24,30H,4-5,11-12H2,1H3,(H,31,32)/t17-,23+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Activity at rat CaSR in CHO cells assessed as inhibition of calcium ion-induced [3H]inositol phosphate accumulation				J Med Chem 49: 5119-28 (2006) Article DOI: 10.1021/jm051233+ BindingDB Entry DOI: 10.7270/Q2DJ5GFC
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445239 (CHEMBL3102944) Show SMILES COc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(OC)cc1OC Show InChI InChI=1S/C22H20N2O3/c1-25-16-6-4-14(5-7-16)20-13-24-22-19(20)10-15(12-23-22)18-9-8-17(26-2)11-21(18)27-3/h4-13H,1-3H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50070942 ((-)-Epigallocatechin gallate | (-)-Epigallocatechi...) Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of human GST-fused DYRK1A expressed in Escherichia coli using KISGRLSPIMTEQ as substrate				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair

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