Compile Data Set for Download or QSAR

Found 22 hits of ic50 for UniProtKB: P29033   

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
Gap junction beta-2 protein (Homo sapiens)	BDBM50458722 (CHEMBL4204676) Show SMILES [H][C@@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](COCc2ccc(Cl)cc2)[C@@H](OCc2ccc(Cl)cc2)[C@H](N)[C@H]1O |r| Show InChI InChI=1S/C32H46Cl2N4O11/c33-16-5-1-14(2-6-16)11-44-13-21-30(45-12-15-3-7-17(34)8-4-15)22(38)24(40)31(47-21)48-28-18(36)9-19(37)29(27(28)43)49-32-26(42)25(41)23(39)20(10-35)46-32/h1-8,18-32,39-43H,9-13,35-38H2/t18-,19+,20-,21-,22-,23-,24-,25+,26-,27-,28+,29-,30-,31+,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG 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
Utah State University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs				ACS Med Chem Lett 9: 697-701 (2018) Article DOI: 10.1021/acsmedchemlett.8b00158 BindingDB Entry DOI: 10.7270/Q25M68BF
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50458726 (CHEMBL4205159) Show SMILES [H][C@@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](COCc2ccc(C)cc2)[C@@H](OCc2ccc(C)cc2)[C@H](N)[C@H]1O |r| Show InChI InChI=1S/C34H52N4O11/c1-16-3-7-18(8-4-16)13-44-15-23-32(45-14-19-9-5-17(2)6-10-19)24(38)26(40)33(47-23)48-30-20(36)11-21(37)31(29(30)43)49-34-28(42)27(41)25(39)22(12-35)46-34/h3-10,20-34,39-43H,11-15,35-38H2,1-2H3/t20-,21+,22-,23-,24-,25-,26-,27+,28-,29-,30+,31-,32-,33+,34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs				ACS Med Chem Lett 9: 697-701 (2018) Article DOI: 10.1021/acsmedchemlett.8b00158 BindingDB Entry DOI: 10.7270/Q25M68BF
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50458720 (CHEMBL4209017) Show SMILES [H][C@@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](COCc2ccc3ccccc3c2)[C@@H](OCc2ccc3ccccc3c2)[C@H](N)[C@H]1O |r| Show InChI InChI=1S/C40H52N4O11/c41-16-28-31(45)33(47)34(48)40(52-28)55-37-27(43)15-26(42)36(35(37)49)54-39-32(46)30(44)38(51-18-21-10-12-23-6-2-4-8-25(23)14-21)29(53-39)19-50-17-20-9-11-22-5-1-3-7-24(22)13-20/h1-14,26-40,45-49H,15-19,41-44H2/t26-,27+,28-,29-,30-,31-,32-,33+,34-,35-,36+,37-,38-,39+,40-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs				ACS Med Chem Lett 9: 697-701 (2018) Article DOI: 10.1021/acsmedchemlett.8b00158 BindingDB Entry DOI: 10.7270/Q25M68BF
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50565238 (CHEMBL4780949) Show SMILES [H][C@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](COc2ccc(cc2)-c2nc3ccccc3[nH]2)[C@@H](O)[C@H](N)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG 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 Cx26 expressed in Escherichia coli LB2003 cells in medium containing 4 mM K+ and 500 uM IPTG by measuring cell growth after 18 hr...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112602 BindingDB Entry DOI: 10.7270/Q2J106XH
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50458721 (CHEMBL4213413) Show SMILES [H][C@@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](COCc2cccc(c2)-c2ccccc2)[C@@H](OCc2cccc(c2)-c2ccccc2)[C@H](N)[C@H]1O |r| Show InChI InChI=1S/C44H56N4O11/c45-20-32-35(49)37(51)38(52)44(56-32)59-41-31(47)19-30(46)40(39(41)53)58-43-36(50)34(48)42(55-22-25-10-8-16-29(18-25)27-13-5-2-6-14-27)33(57-43)23-54-21-24-9-7-15-28(17-24)26-11-3-1-4-12-26/h1-18,30-44,49-53H,19-23,45-48H2/t30-,31+,32-,33-,34-,35-,36-,37+,38-,39-,40+,41-,42-,43+,44-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs				ACS Med Chem Lett 9: 697-701 (2018) Article DOI: 10.1021/acsmedchemlett.8b00158 BindingDB Entry DOI: 10.7270/Q25M68BF
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50458723 (CHEMBL4210911) Show SMILES [H][C@@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](COCCCCCC)[C@@H](OCCCCCC)[C@H](N)[C@H]1O |r| Show InChI InChI=1S/C30H60N4O11/c1-3-5-7-9-11-40-15-19-28(41-12-10-8-6-4-2)20(34)22(36)29(43-19)44-26-16(32)13-17(33)27(25(26)39)45-30-24(38)23(37)21(35)18(14-31)42-30/h16-30,35-39H,3-15,31-34H2,1-2H3/t16-,17+,18-,19-,20-,21-,22-,23+,24-,25-,26+,27-,28-,29+,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs				ACS Med Chem Lett 9: 697-701 (2018) Article DOI: 10.1021/acsmedchemlett.8b00158 BindingDB Entry DOI: 10.7270/Q25M68BF
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50458717 (CHEMBL4213933) Show SMILES [H][C@@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](COCc2cccc3ccccc23)[C@@H](OCc2cccc3ccccc23)[C@H](N)[C@H]1O |r| Show InChI InChI=1S/C40H52N4O11/c41-16-28-31(45)33(47)34(48)40(52-28)55-37-27(43)15-26(42)36(35(37)49)54-39-32(46)30(44)38(51-18-23-12-6-10-21-8-2-4-14-25(21)23)29(53-39)19-50-17-22-11-5-9-20-7-1-3-13-24(20)22/h1-14,26-40,45-49H,15-19,41-44H2/t26-,27+,28-,29-,30-,31-,32-,33+,34-,35-,36+,37-,38-,39+,40-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs				ACS Med Chem Lett 9: 697-701 (2018) Article DOI: 10.1021/acsmedchemlett.8b00158 BindingDB Entry DOI: 10.7270/Q25M68BF
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50458727 (CHEMBL4203134) Show SMILES [H][C@@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](N)[C@H]1O |r| Show InChI InChI=1S/C32H48N4O11/c33-12-20-23(37)25(39)26(40)32(44-20)47-29-19(35)11-18(34)28(27(29)41)46-31-24(38)22(36)30(43-14-17-9-5-2-6-10-17)21(45-31)15-42-13-16-7-3-1-4-8-16/h1-10,18-32,37-41H,11-15,33-36H2/t18-,19+,20-,21-,22-,23-,24-,25+,26-,27-,28+,29-,30-,31+,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs				ACS Med Chem Lett 9: 697-701 (2018) Article DOI: 10.1021/acsmedchemlett.8b00158 BindingDB Entry DOI: 10.7270/Q25M68BF
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50458725 (CHEMBL4209535) Show SMILES [H][C@@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](COCc2ccc(F)cc2)[C@@H](OCc2ccc(F)cc2)[C@H](N)[C@H]1O |r| Show InChI InChI=1S/C32H46F2N4O11/c33-16-5-1-14(2-6-16)11-44-13-21-30(45-12-15-3-7-17(34)8-4-15)22(38)24(40)31(47-21)48-28-18(36)9-19(37)29(27(28)43)49-32-26(42)25(41)23(39)20(10-35)46-32/h1-8,18-32,39-43H,9-13,35-38H2/t18-,19+,20-,21-,22-,23-,24-,25+,26-,27-,28+,29-,30-,31+,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs				ACS Med Chem Lett 9: 697-701 (2018) Article DOI: 10.1021/acsmedchemlett.8b00158 BindingDB Entry DOI: 10.7270/Q25M68BF
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50458718 (CHEMBL4212437) Show SMILES [H][C@@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](OC)[C@H](OC)[C@H]3OC)[C@@H]2OC)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](N)[C@H]1OC |r| Show InChI InChI=1S/C37H58N4O11/c1-42-31-25(17-38)49-37(35(46-5)34(31)45-4)52-29-24(40)16-23(39)28(33(29)44-3)51-36-32(43-2)27(41)30(48-19-22-14-10-7-11-15-22)26(50-36)20-47-18-21-12-8-6-9-13-21/h6-15,23-37H,16-20,38-41H2,1-5H3/t23-,24+,25-,26-,27+,28+,29-,30-,31-,32-,33-,34+,35-,36+,37-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs				ACS Med Chem Lett 9: 697-701 (2018) Article DOI: 10.1021/acsmedchemlett.8b00158 BindingDB Entry DOI: 10.7270/Q25M68BF
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50031282 (CHEBI:17630 | Kanamycin) Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs				ACS Med Chem Lett 9: 697-701 (2018) Article DOI: 10.1021/acsmedchemlett.8b00158 BindingDB Entry DOI: 10.7270/Q25M68BF
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50031282 (CHEBI:17630 | Kanamycin) Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cx26 expressed in Escherichia coli LB2003 cells in medium containing 4 mM K+ and 500 uM IPTG by measuring cell growth after 18 hr...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112602 BindingDB Entry DOI: 10.7270/Q2J106XH
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50565239 (CHEMBL4785499) Show SMILES [H][C@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CNC(=O)c4ccccc4-c4c5ccc(O)cc5oc5cc(=O)ccc45)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O |r,wU:43.47,50.56,9.9,14.14,11.11,3.2,55.61,1.0,wD:53.59,45.50,4.4,41.45,47.53,57.64,7.7,(8.96,-8.44,;8.1,-7.17,;9.65,-7.17,;10.41,-5.83,;9.65,-4.51,;8.1,-4.51,;10.41,-3.17,;11.95,-3.17,;12.72,-1.83,;12.72,-4.51,;14.26,-4.51,;15.03,-5.83,;15.47,-4.35,;14.26,-7.17,;15.03,-8.5,;14.26,-9.84,;15.03,-11.17,;14.26,-12.51,;12.92,-11.73,;15.03,-13.84,;16.56,-13.83,;17.33,-15.16,;16.56,-16.5,;15.02,-16.5,;14.25,-15.17,;12.71,-15.16,;11.94,-16.49,;12.71,-17.82,;11.94,-19.16,;10.39,-19.16,;9.62,-20.49,;9.62,-17.82,;10.4,-16.49,;9.63,-15.15,;10.41,-13.82,;9.64,-12.48,;10.42,-11.15,;9.65,-9.82,;11.96,-11.16,;12.72,-12.49,;11.95,-13.83,;16.57,-8.5,;17.34,-9.84,;17.34,-7.17,;18.89,-7.17,;16.57,-5.83,;17.34,-4.51,;11.95,-5.83,;12.72,-7.17,;7.33,-5.83,;5.78,-5.83,;5.02,-4.51,;3.47,-4.51,;5.02,-7.17,;3.47,-7.17,;5.78,-8.5,;5.02,-9.84,;7.33,-8.5,;8.1,-9.84,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cx26 expressed in Escherichia coli LB2003 cells in medium containing 4 mM K+ and 500 uM IPTG by measuring cell growth after 18 hr...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112602 BindingDB Entry DOI: 10.7270/Q2J106XH
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50458724 (CHEMBL4216863) Show SMILES [H][C@@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](COCc2ccc(OC)cc2)[C@@H](OCc2ccc(OC)cc2)[C@H](N)[C@H]1O |r| Show InChI InChI=1S/C34H52N4O13/c1-44-18-7-3-16(4-8-18)13-46-15-23-32(47-14-17-5-9-19(45-2)10-6-17)24(38)26(40)33(49-23)50-30-20(36)11-21(37)31(29(30)43)51-34-28(42)27(41)25(39)22(12-35)48-34/h3-10,20-34,39-43H,11-15,35-38H2,1-2H3/t20-,21+,22-,23-,24-,25-,26-,27+,28-,29-,30+,31-,32-,33+,34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG 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
Utah State University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs				ACS Med Chem Lett 9: 697-701 (2018) Article DOI: 10.1021/acsmedchemlett.8b00158 BindingDB Entry DOI: 10.7270/Q25M68BF
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50458719 (CHEMBL4210382) Show SMILES [H][C@@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](CO)[C@@H](OCCCCCC)[C@H](N)[C@H]1O |r| Show InChI InChI=1S/C24H48N4O11/c1-2-3-4-5-6-35-22-13(9-29)37-23(16(31)14(22)28)38-20-10(26)7-11(27)21(19(20)34)39-24-18(33)17(32)15(30)12(8-25)36-24/h10-24,29-34H,2-9,25-28H2,1H3/t10-,11+,12-,13-,14-,15-,16-,17+,18-,19-,20+,21-,22-,23+,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs				ACS Med Chem Lett 9: 697-701 (2018) Article DOI: 10.1021/acsmedchemlett.8b00158 BindingDB Entry DOI: 10.7270/Q25M68BF
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50458729 (CHEMBL4215327) Show SMILES [H][C@@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](COCCCCCCCC)[C@@H](OCCCCCCCC)[C@H](N)[C@H]1O |r| Show InChI InChI=1S/C34H68N4O11/c1-3-5-7-9-11-13-15-44-19-23-32(45-16-14-12-10-8-6-4-2)24(38)26(40)33(47-23)48-30-20(36)17-21(37)31(29(30)43)49-34-28(42)27(41)25(39)22(18-35)46-34/h20-34,39-43H,3-19,35-38H2,1-2H3/t20-,21+,22-,23-,24-,25-,26-,27+,28-,29-,30+,31-,32-,33+,34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs				ACS Med Chem Lett 9: 697-701 (2018) Article DOI: 10.1021/acsmedchemlett.8b00158 BindingDB Entry DOI: 10.7270/Q25M68BF
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50565237 (CHEMBL4776897) Show SMILES [H][C@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](COc2ccc(Cl)cc2)[C@@H](O)[C@H](N)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cx26 expressed in Escherichia coli LB2003 cells in medium containing 4 mM K+ and 500 uM IPTG by measuring cell growth after 18 hr...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112602 BindingDB Entry DOI: 10.7270/Q2J106XH
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50565240 (CHEMBL4799209) Show SMILES [H][C@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CNC(=O)CCCc4cc5ccc6cccc7ccc(c4)c5c67)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cx26 expressed in Escherichia coli LB2003 cells in medium containing 4 mM K+ and 500 uM IPTG by measuring cell growth after 18 hr...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112602 BindingDB Entry DOI: 10.7270/Q2J106XH
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50458728 (CHEMBL4214786) Show SMILES [H][C@@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](COCCCCCCCCC)[C@@H](OCCCCCCCCC)[C@H](N)[C@H]1O |r| Show InChI InChI=1S/C36H72N4O11/c1-3-5-7-9-11-13-15-17-46-21-25-34(47-18-16-14-12-10-8-6-4-2)26(40)28(42)35(49-25)50-32-22(38)19-23(39)33(31(32)45)51-36-30(44)29(43)27(41)24(20-37)48-36/h22-36,41-45H,3-21,37-40H2,1-2H3/t22-,23+,24-,25-,26-,27-,28-,29+,30-,31-,32+,33-,34-,35+,36-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs				ACS Med Chem Lett 9: 697-701 (2018) Article DOI: 10.1021/acsmedchemlett.8b00158 BindingDB Entry DOI: 10.7270/Q25M68BF
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50458730 (CHEMBL4206024) Show SMILES [H][C@@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](COCCCC)[C@@H](OCCCC)[C@H](N)[C@H]1O |r| Show InChI InChI=1S/C26H52N4O11/c1-3-5-7-36-11-15-24(37-8-6-4-2)16(30)18(32)25(39-15)40-22-12(28)9-13(29)23(21(22)35)41-26-20(34)19(33)17(31)14(10-27)38-26/h12-26,31-35H,3-11,27-30H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs				ACS Med Chem Lett 9: 697-701 (2018) Article DOI: 10.1021/acsmedchemlett.8b00158 BindingDB Entry DOI: 10.7270/Q25M68BF
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50565236 (CHEMBL4790312) Show SMILES [H][C@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](COc2ccc(C)cc2)[C@@H](O)[C@H](N)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cx26 expressed in Escherichia coli LB2003 cells in medium containing 4 mM K+ and 500 uM IPTG by measuring cell growth after 18 hr...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112602 BindingDB Entry DOI: 10.7270/Q2J106XH
					More data for this Ligand-Target Pair
Gap junction beta-2 protein (Homo sapiens)	BDBM50565241 (CHEMBL4795796) Show SMILES [H][C@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CNC(=O)CCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cx26 expressed in Escherichia coli LB2003 cells in medium containing 4 mM K+ and 500 uM IPTG by measuring cell growth after 18 hr...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112602 BindingDB Entry DOI: 10.7270/Q2J106XH
					More data for this Ligand-Target Pair