Compile Data Set for Download or QSAR

Found 109 hits with Last Name = 'butler' and Initial = 'hs'   

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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50265896 (CHEMBL4070359) Show SMILES Cc1nn(-c2ccc(C)cn2)c2cc(ncc12)-c1ccc(cc1F)[C@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H19FN4O2/c1-12-3-6-22(26-10-12)28-21-9-20(25-11-18(21)13(2)27-28)15-5-4-14(7-19(15)24)16-8-17(16)23(29)30/h3-7,9-11,16-17H,8H2,1-2H3,(H,29,30)/t16-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Adenosine A2A receptor (unknown origin)				J Med Chem 60: 3187-3197 (2017) Article DOI: 10.1021/acs.jmedchem.7b00210 BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50600005 (CHEMBL5195268) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(ccc2ccc1=O)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM21690 (1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50600003 (CHEMBL5201228) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50050549 (GSK2140944 | Gepotidacin) Show SMILES O=c1ccc2ncc(=O)n3[C@H](CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23 |r| Show InChI InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50600006 (CHEMBL5172158) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(cnc2ccc1=O)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50600007 (CHEMBL5182200) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2SCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50600004 (CHEMBL5184104) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(OC)cnc2ccc1=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50600009 (CHEMBL5177076) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(cnc2ccc1=O)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50600008 (CHEMBL5198597) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(OC)cnc2ccc1=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50265895 (CHEMBL4097537) Show SMILES COc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(cc1)[C@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H19N3O3/c1-29-22-17-10-9-16(12-20(17)26(25-22)21-4-2-3-11-24-21)14-5-7-15(8-6-14)18-13-19(18)23(27)28/h2-12,18-19H,13H2,1H3,(H,27,28)/t18-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 4D (unknown origin)				J Med Chem 60: 3187-3197 (2017) Article DOI: 10.1021/acs.jmedchem.7b00210 BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600011 (CHEMBL5205047) Show SMILES [H][C@@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600007 (CHEMBL5182200) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2SCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600010 (CHEMBL5184352) Show SMILES [H][C@]12C[C@@H](CC[C@@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600003 (CHEMBL5201228) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600013 (CHEMBL5194618) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ncc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600018 (CHEMBL5199405) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(ccc2ccc1=O)C#N |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600014 (CHEMBL5172094) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)cnc2ccc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600012 (CHEMBL5190832) Show SMILES [H][C@@]12C[C@@H](CC[C@@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600017 (CHEMBL5195721) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(F)ccc2ncc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50600003 (CHEMBL5201228) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600015 (CHEMBL5206169) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2SCC(=O)Nc2n1)NCCn1c2cc(cnc2ccc1=O)C#N |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600004 (CHEMBL5184104) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(OC)cnc2ccc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600016 (CHEMBL5170129) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ncc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50050549 (GSK2140944 | Gepotidacin) Show SMILES O=c1ccc2ncc(=O)n3[C@H](CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23 |r| Show InChI InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50600005 (CHEMBL5195268) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(ccc2ccc1=O)C#N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50600007 (CHEMBL5182200) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2SCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50050549 (GSK2140944 | Gepotidacin) Show SMILES O=c1ccc2ncc(=O)n3[C@H](CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23 |r| Show InChI InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50600006 (CHEMBL5172158) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(cnc2ccc1=O)C#N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50600004 (CHEMBL5184104) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(OC)cnc2ccc1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM21690 (1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600009 (CHEMBL5177076) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(cnc2ccc1=O)C#N |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600008 (CHEMBL5198597) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(OC)cnc2ccc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50600008 (CHEMBL5198597) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(OC)cnc2ccc1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600006 (CHEMBL5172158) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(cnc2ccc1=O)C#N |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600005 (CHEMBL5195268) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(ccc2ccc1=O)C#N |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM21690 (1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50600009 (CHEMBL5177076) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(cnc2ccc1=O)C#N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Free fatty acid receptor 4 (Homo sapiens (Human))	BDBM50265860 (CHEMBL4082804) Show SMILES Cc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C21H17N3O2/c1-14-18-10-9-17(16-7-5-15(6-8-16)12-21(25)26)13-19(18)24(23-14)20-4-2-3-11-22-20/h2-11,13H,12H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR120 expressed in CHO-FlpIn cells after 15 mins by DMR assay				J Med Chem 60: 3187-3197 (2017) Article DOI: 10.1021/acs.jmedchem.7b00210 BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
					More data for this Ligand-Target Pair
Free fatty acid receptor 4 (Homo sapiens (Human))	BDBM50265862 (CHEMBL4077507) Show SMILES Cc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C22H19N3O2/c1-15-19-11-10-18(17-8-5-16(6-9-17)7-12-22(26)27)14-20(19)25(24-15)21-4-2-3-13-23-21/h2-6,8-11,13-14H,7,12H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR120 expressed in CHO-FlpIn cells after 15 mins by DMR assay				J Med Chem 60: 3187-3197 (2017) Article DOI: 10.1021/acs.jmedchem.7b00210 BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
					More data for this Ligand-Target Pair
Free fatty acid receptor 4 (Homo sapiens (Human))	BDBM50265865 (CHEMBL4076190) Show SMILES Cc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(CCCC(O)=O)cc1 Show InChI InChI=1S/C23H21N3O2/c1-16-20-13-12-19(15-21(20)26(25-16)22-6-2-3-14-24-22)18-10-8-17(9-11-18)5-4-7-23(27)28/h2-3,6,8-15H,4-5,7H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR120 expressed in CHO-FlpIn cells after 15 mins by DMR assay				J Med Chem 60: 3187-3197 (2017) Article DOI: 10.1021/acs.jmedchem.7b00210 BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
					More data for this Ligand-Target Pair
Free fatty acid receptor 4 (Homo sapiens (Human))	BDBM50265868 (CHEMBL4071228) Show SMILES Cc1nn(-c2ccccn2)c2cc(ccc12)-c1cccc(CCC(O)=O)c1 Show InChI InChI=1S/C22H19N3O2/c1-15-19-10-9-18(17-6-4-5-16(13-17)8-11-22(26)27)14-20(19)25(24-15)21-7-2-3-12-23-21/h2-7,9-10,12-14H,8,11H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR120 expressed in CHO-FlpIn cells after 15 mins by DMR assay				J Med Chem 60: 3187-3197 (2017) Article DOI: 10.1021/acs.jmedchem.7b00210 BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
					More data for this Ligand-Target Pair
Free fatty acid receptor 4 (Homo sapiens (Human))	BDBM50265874 (CHEMBL4085695) Show SMILES Cc1nn(-c2ccccn2)c2cc(ncc12)-c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C21H18N4O2/c1-14-17-13-23-18(16-8-5-15(6-9-16)7-10-21(26)27)12-19(17)25(24-14)20-4-2-3-11-22-20/h2-6,8-9,11-13H,7,10H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR120 expressed in CHO-FlpIn cells after 15 mins by DMR assay				J Med Chem 60: 3187-3197 (2017) Article DOI: 10.1021/acs.jmedchem.7b00210 BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
					More data for this Ligand-Target Pair
Free fatty acid receptor 4 (Homo sapiens (Human))	BDBM50265875 (CHEMBL4070273) Show SMILES COc1cc(CCC(O)=O)ccc1-c1ccc2c(C)nn(-c3ccccn3)c2c1 Show InChI InChI=1S/C23H21N3O3/c1-15-18-10-8-17(14-20(18)26(25-15)22-5-3-4-12-24-22)19-9-6-16(7-11-23(27)28)13-21(19)29-2/h3-6,8-10,12-14H,7,11H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	720	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR120 expressed in CHO-FlpIn cells after 15 mins by DMR assay				J Med Chem 60: 3187-3197 (2017) Article DOI: 10.1021/acs.jmedchem.7b00210 BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
					More data for this Ligand-Target Pair
Free fatty acid receptor 4 (Homo sapiens (Human))	BDBM50265876 (CHEMBL4077353) Show SMILES Cc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(CCC(O)=O)cc1C#N Show InChI InChI=1S/C23H18N4O2/c1-15-19-9-7-17(13-21(19)27(26-15)22-4-2-3-11-25-22)20-8-5-16(6-10-23(28)29)12-18(20)14-24/h2-5,7-9,11-13H,6,10H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR120 expressed in CHO-FlpIn cells after 15 mins by DMR assay				J Med Chem 60: 3187-3197 (2017) Article DOI: 10.1021/acs.jmedchem.7b00210 BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
					More data for this Ligand-Target Pair
Free fatty acid receptor 4 (Homo sapiens (Human))	BDBM50265877 (CHEMBL4101071) Show SMILES Cc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(CCC(O)=O)cc1Cl Show InChI InChI=1S/C22H18ClN3O2/c1-14-17-9-7-16(13-20(17)26(25-14)21-4-2-3-11-24-21)18-8-5-15(12-19(18)23)6-10-22(27)28/h2-5,7-9,11-13H,6,10H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	710	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR120 expressed in CHO-FlpIn cells after 15 mins by DMR assay				J Med Chem 60: 3187-3197 (2017) Article DOI: 10.1021/acs.jmedchem.7b00210 BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
					More data for this Ligand-Target Pair
Free fatty acid receptor 4 (Homo sapiens (Human))	BDBM50265878 (CHEMBL4060517) Show SMILES OC(=O)CCc1ccc(cc1)-c1ccc2cnn(-c3ccccn3)c2c1 Show InChI InChI=1S/C21H17N3O2/c25-21(26)11-6-15-4-7-16(8-5-15)17-9-10-18-14-23-24(19(18)13-17)20-3-1-2-12-22-20/h1-5,7-10,12-14H,6,11H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	990	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR120 expressed in CHO-FlpIn cells after 15 mins by DMR assay				J Med Chem 60: 3187-3197 (2017) Article DOI: 10.1021/acs.jmedchem.7b00210 BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
					More data for this Ligand-Target Pair
Free fatty acid receptor 4 (Homo sapiens (Human))	BDBM50265879 (CHEMBL4065429) Show SMILES OC(=O)CCc1ccc(cc1)-c1ccc2c(OCc3ccccc3)nn(-c3ccccn3)c2c1 Show InChI InChI=1S/C28H23N3O3/c32-27(33)16-11-20-9-12-22(13-10-20)23-14-15-24-25(18-23)31(26-8-4-5-17-29-26)30-28(24)34-19-21-6-2-1-3-7-21/h1-10,12-15,17-18H,11,16,19H2,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR120 expressed in CHO-FlpIn cells after 15 mins by DMR assay				J Med Chem 60: 3187-3197 (2017) Article DOI: 10.1021/acs.jmedchem.7b00210 BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
					More data for this Ligand-Target Pair
Free fatty acid receptor 4 (Homo sapiens (Human))	BDBM50265880 (CHEMBL4076004) Show SMILES CCc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C23H21N3O2/c1-2-20-19-12-11-18(17-9-6-16(7-10-17)8-13-23(27)28)15-21(19)26(25-20)22-5-3-4-14-24-22/h3-7,9-12,14-15H,2,8,13H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	760	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR120 expressed in CHO-FlpIn cells after 15 mins by DMR assay				J Med Chem 60: 3187-3197 (2017) Article DOI: 10.1021/acs.jmedchem.7b00210 BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
					More data for this Ligand-Target Pair
Free fatty acid receptor 4 (Homo sapiens (Human))	BDBM50265881 (CHEMBL4065890) Show SMILES OC(=O)CCc1ccc(cc1)-c1ccc2c(nn(-c3ccccn3)c2c1)C#N Show InChI InChI=1S/C22H16N4O2/c23-14-19-18-10-9-17(16-7-4-15(5-8-16)6-11-22(27)28)13-20(18)26(25-19)21-3-1-2-12-24-21/h1-5,7-10,12-13H,6,11H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR120 expressed in CHO-FlpIn cells after 15 mins by DMR assay				J Med Chem 60: 3187-3197 (2017) Article DOI: 10.1021/acs.jmedchem.7b00210 BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
					More data for this Ligand-Target Pair

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