Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'kjaerulff' and Initial = 'l'   

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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50333649 ((3R,6R)-6-((3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-(3-(...) Show SMILES CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCNCCCN)OS(O)(=O)=O |r| Show InChI InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated with substrate for 10 mi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00454 BindingDB Entry DOI: 10.7270/Q2BC43C6
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50209683 ((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...) Show SMILES Cc1sc2c(Br)c3ccccc3c(-c3cc(C)c(O[C@H](Cc4ccccc4)C(O)=O)c(C)c3)c2c1C Show InChI InChI=1S/C31H27BrO3S/c1-17-14-22(15-18(2)29(17)35-25(31(33)34)16-21-10-6-5-7-11-21)27-23-12-8-9-13-24(23)28(32)30-26(27)19(3)20(4)36-30/h5-15,25H,16H2,1-4H3,(H,33,34)/t25-/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	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated with substrate for 10 mi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00454 BindingDB Entry DOI: 10.7270/Q2BC43C6
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50575001 (CHEMBL2310311) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#8]-c2cc(-[#6])c(-[#6](-[#8])=O)c(-[#8])c2-[#6]=[#6]1 |r,c:26| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated with substrate for 10 mi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00454 BindingDB Entry DOI: 10.7270/Q2BC43C6
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50537951 (Grifolic Acid) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#6])c(-[#6](-[#8])=O)c1-[#8] Show InChI InChI=1S/C23H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-20(24)14-18(5)21(22(19)25)23(26)27/h8,10,12,14,24-25H,6-7,9,11,13H2,1-5H3,(H,26,27)/b16-10+,17-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated with substrate for 10 mi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00454 BindingDB Entry DOI: 10.7270/Q2BC43C6
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50574999 (CHEMBL4866095) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](=[#6])-[#6@H](-[#8])-[#6]-[#6][C@@]1([#6])[#8]-c2cc(-[#6])c(-[#6](-[#8])=O)c(-[#8])c2-[#6]=[#6]1 |r,c:27| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated with substrate for 10 mi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00454 BindingDB Entry DOI: 10.7270/Q2BC43C6
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50574998 (CHEMBL4876070) Show SMILES CC(=C)[C@H](O)CC\C(C)=C\CC[C@@]1(C)Oc2cc(C)c(C(O)=O)c(O)c2C=C1 |r,c:27| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated with substrate for 10 mi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00454 BindingDB Entry DOI: 10.7270/Q2BC43C6
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50614500 (CHEMBL233760) Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)C(CO)OC1=O |c:17| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50614498 (CHEMBL5276034) Show SMILES [#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-c1cccc2c(-[#8])cc(-[#6])cc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50574997 (CHEMBL4856719) Show SMILES CC(=C)\C=C\C\C(C)=C\CC[C@@]1(C)Oc2cc(C)c(C(O)=O)c(O)c2C=C1 |r,c:26| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated with substrate for 10 mi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00454 BindingDB Entry DOI: 10.7270/Q2BC43C6
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50614495 (CHEMBL5290531) Show SMILES [H][C@]1([#6]-[#6]-[#6@@H](-[#6]-[#8])-c2c(-[#8])cc(-[#6])cc12)[#6@@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50574995 (CHEMBL4847372) Show SMILES Cc1cc2O[C@](C)(CC[C@@H](O)C(=C)C\C=C\C(C)(C)O)C=Cc2c(O)c1C(O)=O |r,c:20| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated with substrate for 10 mi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00454 BindingDB Entry DOI: 10.7270/Q2BC43C6
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50614496 (CHEMBL5289765) Show SMILES [H][C@]1([#6]-[#6]-[#6@@H](-[#6]-[#8])-c2c(-[#8])cc(-[#6])cc12)[#6@@H](-[#6]-[#8])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50574996 (CHEMBL4849561) Show SMILES CC(=C)[C@H](O)CCC(=C)[C@H](O)CC[C@@]1(C)Oc2cc(C)c(C(O)=O)c(O)c2C=C1 |r,c:28| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated with substrate for 10 mi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00454 BindingDB Entry DOI: 10.7270/Q2BC43C6
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50575000 (CHEMBL4854129) Show SMILES [#6]-[#8][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6@H](-[#8])-[#6]-[#6][C@@]1([#6])[#8]-c2cc(-[#6])c(-[#6](-[#8])=O)c(-[#8])c2-[#6]=[#6]1 |r,c:29| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated with substrate for 10 mi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00454 BindingDB Entry DOI: 10.7270/Q2BC43C6
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50614495 (CHEMBL5290531) Show SMILES [H][C@]1([#6]-[#6]-[#6@@H](-[#6]-[#8])-c2c(-[#8])cc(-[#6])cc12)[#6@@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50575002 (CHEMBL4859368) Show SMILES C\C(C\C=C/C(C)(C)O)=C/CC[C@@]1(C)Oc2cc(C)c(C(O)=O)c(O)c2C=C1 |r,c:27| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated with substrate for 10 mi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00454 BindingDB Entry DOI: 10.7270/Q2BC43C6
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50614497 (CHEMBL5281667) Show SMILES [H][C@]1([#6]-[#6@H](-[#8])-[#6@@H](-[#6])-c2c(-[#8])cc(-[#6])cc12)[#6@@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50614499 (CHEMBL5290371) Show SMILES [H][C@@]1([#6@@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6@H](-[#8])-[#6]-[#6@@H](-[#6])-c2c(-[#8])cc(-[#6])cc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM23406 ((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...) Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37| Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	5.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)