Compile Data Set for Download or QSAR

Found 12 hits of ic50 for UniProtKB: P17302   

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 alpha-1 protein (Homo sapiens)	BDBM50565231 (CHEMBL4794431) 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cx43 expressed in Escherichia coli LB2003 cells in medium containing 8 mM K+ and 10 uM IPTG by measuring cell growth after 18 hrs...				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 alpha-1 protein (Homo sapiens)	BDBM50565230 (CHEMBL4793190) 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cx43 expressed in Escherichia coli LB2003 cells in medium containing 8 mM K+ and 10 uM IPTG by measuring cell growth after 18 hrs...				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 alpha-1 protein (Homo sapiens)	BDBM50565235 (CHEMBL4778380) 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cx43 expressed in Escherichia coli LB2003 cells in medium containing 8 mM K+ and 10 uM IPTG by measuring cell growth after 18 hrs...				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 alpha-1 protein (Homo sapiens)	BDBM50565234 (CHEMBL4784426) 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
TBA					Assay Description Inhibition of human Cx43 expressed in Escherichia coli LB2003 cells in medium containing 8 mM K+ and 10 uM IPTG by measuring cell growth after 18 hrs...				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 alpha-1 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
TBA					Assay Description Inhibition of human Cx43 expressed in Escherichia coli LB2003 cells in medium containing 8 mM K+ and 10 uM IPTG by measuring cell growth after 18 hrs...				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 alpha-1 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cx43 expressed in Escherichia coli LB2003 cells in medium containing 8 mM K+ and 10 uM IPTG by measuring cell growth after 18 hrs...				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 alpha-1 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cx43 expressed in Escherichia coli LB2003 cells in medium containing 8 mM K+ and 10 uM IPTG by measuring cell growth after 18 hrs...				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 alpha-1 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cx43 expressed in Escherichia coli LB2003 cells in medium containing 8 mM K+ and 10 uM IPTG by measuring cell growth after 18 hrs...				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 alpha-1 protein (Homo sapiens)	BDBM50565232 (CHEMBL4777167) 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cx43 expressed in Escherichia coli LB2003 cells in medium containing 8 mM K+ and 10 uM IPTG by measuring cell growth after 18 hrs...				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 alpha-1 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cx43 expressed in Escherichia coli LB2003 cells in medium containing 8 mM K+ and 10 uM IPTG by measuring cell growth after 18 hrs...				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 alpha-1 protein (Homo sapiens)	BDBM50565233 (CHEMBL4777222) 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cx43 expressed in Escherichia coli LB2003 cells in medium containing 8 mM K+ and 10 uM IPTG by measuring cell growth after 18 hrs...				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 alpha-1 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cx43 expressed in Escherichia coli LB2003 cells in medium containing 8 mM K+ and 10 uM IPTG by measuring cell growth after 18 hrs...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112602 BindingDB Entry DOI: 10.7270/Q2J106XH
					More data for this Ligand-Target Pair