Compile Data Set for Download or QSAR

Found 14 hits of ic50 data for polymerid = 50006375   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acyl-CoA wax alcohol acyltransferase 2 (Homo sapiens (Human))	BDBM50579519 (CHEMBL3912712) Show SMILES Cc1ccc(cc1)C1=C(c2nn[nH]n2)C(O)=N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:8,17| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AWAT2				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM
					More data for this Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 2 (Homo sapiens (Human))	BDBM201239 (US9187424, 6-2) Show SMILES COc1ccc(NC(=O)C2=C(C[C@](NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)cc1 |r,t:9| Show InChI InChI=1S/C31H28F6N2O4/c1-19-4-6-20(7-5-19)25-18-29(31(35,36)37,21-8-12-24(13-9-21)43-17-3-16-30(32,33)34)39-28(41)26(25)27(40)38-22-10-14-23(42-2)15-11-22/h4-15H,3,16-18H2,1-2H3,(H,38,40)(H,39,41)/t29-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AWAT2				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM
					More data for this Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 2 (Homo sapiens (Human))	BDBM50579526 (CHEMBL4878564) Show SMILES Cc1ccc(cc1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F |r,c:8| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AWAT2				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM
					More data for this Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 2 (Homo sapiens (Human))	BDBM50433277 (CHEMBL2376313) Show SMILES CCC1(C)N(C)C(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C19H19F2N3O4S/c1-4-19(2)18(26)22-15-8-6-12(10-13(15)17(25)24(19)3)29(27,28)23-16-7-5-11(20)9-14(16)21/h5-10,23H,4H2,1-3H3,(H,22,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant AWAT2 expressed in insect cell membrane using cetyl alcohol and [14C]oleoyl coenzyme A as substrate after 10 to 15 mi...				Bioorg Med Chem Lett 23: 2721-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.084 BindingDB Entry DOI: 10.7270/Q2GB25DM
					More data for this Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 2 (Homo sapiens (Human))	BDBM50433278 (CHEMBL2376312) Show SMILES CCC1(C)NC(=O)c2cc(ccc2N(C)C1=O)S(=O)(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C19H20ClN3O4S/c1-4-19(2)18(25)23(3)16-10-9-14(11-15(16)17(24)21-19)28(26,27)22-13-7-5-12(20)6-8-13/h5-11,22H,4H2,1-3H3,(H,21,24)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant AWAT2 expressed in insect cell membrane using cetyl alcohol and [14C]oleoyl coenzyme A as substrate after 10 to 15 mi...				Bioorg Med Chem Lett 23: 2721-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.084 BindingDB Entry DOI: 10.7270/Q2GB25DM
					More data for this Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 2 (Homo sapiens (Human))	BDBM50433279 (CHEMBL2376311) Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)N(C)c1ccccc1 Show InChI InChI=1S/C19H21N3O4S/c1-4-19(2)18(24)20-16-11-10-14(12-15(16)17(23)21-19)27(25,26)22(3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,20,24)(H,21,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant AWAT2 expressed in insect cell membrane using cetyl alcohol and [14C]oleoyl coenzyme A as substrate after 10 to 15 mi...				Bioorg Med Chem Lett 23: 2721-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.084 BindingDB Entry DOI: 10.7270/Q2GB25DM
					More data for this Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 2 (Homo sapiens (Human))	BDBM50433270 (CHEMBL2376329) Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC)cc1 Show InChI InChI=1S/C19H21N3O5S/c1-4-19(2)18(24)20-16-10-9-14(11-15(16)17(23)21-19)28(25,26)22-12-5-7-13(27-3)8-6-12/h5-11,22H,4H2,1-3H3,(H,20,24)(H,21,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant AWAT2 expressed in insect cell membrane using cetyl alcohol and [14C]oleoyl coenzyme A as substrate after 10 to 15 mi...				Bioorg Med Chem Lett 23: 2721-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.084 BindingDB Entry DOI: 10.7270/Q2GB25DM
					More data for this Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 2 (Homo sapiens (Human))	BDBM50433271 (CHEMBL2376327) Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccccc1Cl Show InChI InChI=1S/C18H18ClN3O4S/c1-3-18(2)17(24)20-14-9-8-11(10-12(14)16(23)21-18)27(25,26)22-15-7-5-4-6-13(15)19/h4-10,22H,3H2,1-2H3,(H,20,24)(H,21,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant AWAT2 expressed in insect cell membrane using cetyl alcohol and [14C]oleoyl coenzyme A as substrate after 10 to 15 mi...				Bioorg Med Chem Lett 23: 2721-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.084 BindingDB Entry DOI: 10.7270/Q2GB25DM
					More data for this Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 2 (Homo sapiens (Human))	BDBM50433272 (CHEMBL2376325) Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C18H18ClN3O4S/c1-3-18(2)17(24)20-15-9-8-13(10-14(15)16(23)21-18)27(25,26)22-12-6-4-11(19)5-7-12/h4-10,22H,3H2,1-2H3,(H,20,24)(H,21,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant AWAT2 expressed in insect cell membrane using cetyl alcohol and [14C]oleoyl coenzyme A as substrate after 10 to 15 mi...				Bioorg Med Chem Lett 23: 2721-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.084 BindingDB Entry DOI: 10.7270/Q2GB25DM
					More data for this Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 2 (Homo sapiens (Human))	BDBM50433273 (CHEMBL2376322) Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C18H19N3O4S/c1-3-18(2)17(23)19-15-10-9-13(11-14(15)16(22)20-18)26(24,25)21-12-7-5-4-6-8-12/h4-11,21H,3H2,1-2H3,(H,19,23)(H,20,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant AWAT2 expressed in insect cell membrane using cetyl alcohol and [14C]oleoyl coenzyme A as substrate after 10 to 15 mi...				Bioorg Med Chem Lett 23: 2721-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.084 BindingDB Entry DOI: 10.7270/Q2GB25DM
					More data for this Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 2 (Homo sapiens (Human))	BDBM50433276 (CHEMBL2376316) Show SMILES CCC1(CC)CNc2ccc(cc2C(=O)N1)S(=O)(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C19H21F2N3O3S/c1-3-19(4-2)11-22-16-8-6-13(10-14(16)18(25)23-19)28(26,27)24-17-7-5-12(20)9-15(17)21/h5-10,22,24H,3-4,11H2,1-2H3,(H,23,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant AWAT2 expressed in insect cell membrane using cetyl alcohol and [14C]oleoyl coenzyme A as substrate after 10 to 15 mi...				Bioorg Med Chem Lett 23: 2721-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.084 BindingDB Entry DOI: 10.7270/Q2GB25DM
					More data for this Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 2 (Homo sapiens (Human))	BDBM50433275 (CHEMBL2376320) Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C19H18F3N3O4S/c1-3-18(2)17(27)23-15-9-8-13(10-14(15)16(26)24-18)30(28,29)25-12-6-4-11(5-7-12)19(20,21)22/h4-10,25H,3H2,1-2H3,(H,23,27)(H,24,26)/t18-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant AWAT2 expressed in insect cell membrane using cetyl alcohol and [14C]oleoyl coenzyme A as substrate after 10 to 15 mi...				Bioorg Med Chem Lett 23: 2721-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.084 BindingDB Entry DOI: 10.7270/Q2GB25DM
					More data for this Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 2 (Homo sapiens (Human))	BDBM50433274 (CHEMBL2376321) Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC(F)F)cc1 |r| Show InChI InChI=1S/C19H19F2N3O5S/c1-3-19(2)17(26)22-15-9-8-13(10-14(15)16(25)23-19)30(27,28)24-11-4-6-12(7-5-11)29-18(20)21/h4-10,18,24H,3H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant AWAT2 expressed in insect cell membrane using cetyl alcohol and [14C]oleoyl coenzyme A as substrate after 10 to 15 mi...				Bioorg Med Chem Lett 23: 2721-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.084 BindingDB Entry DOI: 10.7270/Q2GB25DM
					More data for this Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 2 (Homo sapiens (Human))	BDBM50433269 (CHEMBL2376303) Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(F)cc1F |r| Show InChI InChI=1S/C18H17F2N3O4S/c1-3-18(2)17(25)21-14-7-5-11(9-12(14)16(24)22-18)28(26,27)23-15-6-4-10(19)8-13(15)20/h4-9,23H,3H2,1-2H3,(H,21,25)(H,22,24)/t18-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant AWAT2 expressed in insect cell membrane using cetyl alcohol and [14C]oleoyl coenzyme A as substrate after 10 to 15 mi...				Bioorg Med Chem Lett 23: 2721-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.084 BindingDB Entry DOI: 10.7270/Q2GB25DM
					More data for this Ligand-Target Pair