Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'yang' and Initial = 'ya'   

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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	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 MMDB PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...				Bioorg Med Chem Lett 24: 2324-8 (2014) Article DOI: 10.1016/j.bmcl.2014.03.072 BindingDB Entry DOI: 10.7270/Q2X63PGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492595 (CHEMBL2408077) Show SMILES Cc1cc(C)nc(NS(=O)(=O)c2ccc(cc2)\N=C\c2c(Cl)c3ccccc3oc2=O)n1 Show InChI InChI=1S/C22H17ClN4O4S/c1-13-11-14(2)26-22(25-13)27-32(29,30)16-9-7-15(8-10-16)24-12-18-20(23)17-5-3-4-6-19(17)31-21(18)28/h3-12H,1-2H3,(H,25,26,27)/b24-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492590 (CHEMBL2408085) Show SMILES Cc1ccnc(NS(=O)(=O)c2ccc(cc2)\N=C\c2c(Cl)c3cc(cc(c3oc2=O)C(C)(C)C)C(C)(C)C)n1 Show InChI InChI=1S/C29H31ClN4O4S/c1-17-12-13-31-27(33-17)34-39(36,37)20-10-8-19(9-11-20)32-16-22-24(30)21-14-18(28(2,3)4)15-23(29(5,6)7)25(21)38-26(22)35/h8-16H,1-7H3,(H,31,33,34)/b32-16+	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492592 (CHEMBL2408078) Show SMILES Cc1cc(NS(=O)(=O)c2ccc(cc2)\N=C\c2c(Cl)c3ccccc3oc2=O)no1 Show InChI InChI=1S/C20H14ClN3O5S/c1-12-10-18(23-29-12)24-30(26,27)14-8-6-13(7-9-14)22-11-16-19(21)15-4-2-3-5-17(15)28-20(16)25/h2-11H,1H3,(H,23,24)/b22-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway 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	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492599 (CHEMBL2408074) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1c(Cl)c2ccccc2oc1=O Show InChI InChI=1S/C16H11ClN2O4S/c17-15-12-3-1-2-4-14(12)23-16(20)13(15)9-19-10-5-7-11(8-6-10)24(18,21)22/h1-9H,(H2,18,21,22)/b19-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492593 (CHEMBL2408080) Show SMILES CC(C)(C)c1cc(c2oc(=O)c(\C=N\c3ccc(cc3)S(N)(=O)=O)c(Cl)c2c1)C(C)(C)C Show InChI InChI=1S/C24H27ClN2O4S/c1-23(2,3)14-11-17-20(25)18(22(28)31-21(17)19(12-14)24(4,5)6)13-27-15-7-9-16(10-8-15)32(26,29)30/h7-13H,1-6H3,(H2,26,29,30)/b27-13+	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	34	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492588 (CHEMBL2408084) Show SMILES Cc1cc(NS(=O)(=O)c2ccc(cc2)\N=C\c2c(Cl)c3cc(cc(c3oc2=O)C(C)(C)C)C(C)(C)C)no1 Show InChI InChI=1S/C28H30ClN3O5S/c1-16-12-23(31-37-16)32-38(34,35)19-10-8-18(9-11-19)30-15-21-24(29)20-13-17(27(2,3)4)14-22(28(5,6)7)25(20)36-26(21)33/h8-15H,1-7H3,(H,31,32)/b30-15+	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	43	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492600 (CHEMBL2408073) Show SMILES Cc1ccc2oc(=O)c(\C=N\c3ccc(cc3)S(=O)(=O)Nc3nccc(C)n3)c(Cl)c2c1 Show InChI InChI=1S/C22H17ClN4O4S/c1-13-3-8-19-17(11-13)20(23)18(21(28)31-19)12-25-15-4-6-16(7-5-15)32(29,30)27-22-24-10-9-14(2)26-22/h3-12H,1-2H3,(H,24,26,27)/b25-12+	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	48	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492598 (CHEMBL2408088) Show SMILES Cc1ccc2oc(=O)c(\C=N\c3ccc(cc3)S(=O)(=O)NC(N)=N)c(Cl)c2c1 Show InChI InChI=1S/C18H15ClN4O4S/c1-10-2-7-15-13(8-10)16(19)14(17(24)27-15)9-22-11-3-5-12(6-4-11)28(25,26)23-18(20)21/h2-9H,1H3,(H4,20,21,23)/b22-9+	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492594 (CHEMBL2408079) Show SMILES Cc1ccnc(NS(=O)(=O)c2ccc(cc2)\N=C\c2c(Cl)c3ccccc3oc2=O)n1 Show InChI InChI=1S/C21H15ClN4O4S/c1-13-10-11-23-21(25-13)26-31(28,29)15-8-6-14(7-9-15)24-12-17-19(22)16-4-2-3-5-18(16)30-20(17)27/h2-12H,1H3,(H,23,25,26)/b24-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492597 (CHEMBL2408081) Show SMILES CC(C)(C)c1cc(c2oc(=O)c(\C=N\c3ccc(cc3)S(=O)(=O)Nc3nccs3)c(Cl)c2c1)C(C)(C)C Show InChI InChI=1S/C27H28ClN3O4S2/c1-26(2,3)16-13-19-22(28)20(24(32)35-23(19)21(14-16)27(4,5)6)15-30-17-7-9-18(10-8-17)37(33,34)31-25-29-11-12-36-25/h7-15H,1-6H3,(H,29,31)/b30-15+	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	51	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492589 (CHEMBL2408090) Show SMILES Cc1cc(NS(=O)(=O)c2ccc(cc2)\N=C\c2c(Cl)c3cc(C)ccc3oc2=O)no1 Show InChI InChI=1S/C21H16ClN3O5S/c1-12-3-8-18-16(9-12)20(22)17(21(26)29-18)11-23-14-4-6-15(7-5-14)31(27,28)25-19-10-13(2)30-24-19/h3-11H,1-2H3,(H,24,25)/b23-11+	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	52	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492596 (CHEMBL2408075) Show SMILES Clc1c(\C=N\c2ccc(cc2)S(=O)(=O)Nc2nccs2)c(=O)oc2ccccc12 Show InChI InChI=1S/C19H12ClN3O4S2/c20-17-14-3-1-2-4-16(14)27-18(24)15(17)11-22-12-5-7-13(8-6-12)29(25,26)23-19-21-9-10-28-19/h1-11H,(H,21,23)/b22-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492600 (CHEMBL2408073) Show SMILES Cc1ccc2oc(=O)c(\C=N\c3ccc(cc3)S(=O)(=O)Nc3nccc(C)n3)c(Cl)c2c1 Show InChI InChI=1S/C22H17ClN4O4S/c1-13-3-8-19-17(11-13)20(23)18(21(28)31-19)12-25-15-4-6-16(7-5-15)32(29,30)27-22-24-10-9-14(2)26-22/h3-12H,1-2H3,(H,24,26,27)/b25-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492590 (CHEMBL2408085) Show SMILES Cc1ccnc(NS(=O)(=O)c2ccc(cc2)\N=C\c2c(Cl)c3cc(cc(c3oc2=O)C(C)(C)C)C(C)(C)C)n1 Show InChI InChI=1S/C29H31ClN4O4S/c1-17-12-13-31-27(33-17)34-39(36,37)20-10-8-19(9-11-20)32-16-22-24(30)21-14-18(28(2,3)4)15-23(29(5,6)7)25(21)38-26(22)35/h8-16H,1-7H3,(H,31,33,34)/b32-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492601 (CHEMBL2408089) Show SMILES Cc1ccc2oc(=O)c(\C=N\c3ccc(cc3)S(=O)(=O)Nc3nc(C)cc(C)n3)c(Cl)c2c1 Show InChI InChI=1S/C23H19ClN4O4S/c1-13-4-9-20-18(10-13)21(24)19(22(29)32-20)12-25-16-5-7-17(8-6-16)33(30,31)28-23-26-14(2)11-15(3)27-23/h4-12H,1-3H3,(H,26,27,28)/b25-12+	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	67	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492602 (CHEMBL2408082) Show SMILES CC(C)(C)c1cc(c2oc(=O)c(\C=N\c3ccc(cc3)S(=O)(=O)NC(N)=N)c(Cl)c2c1)C(C)(C)C Show InChI InChI=1S/C25H29ClN4O4S/c1-24(2,3)14-11-17-20(26)18(22(31)34-21(17)19(12-14)25(4,5)6)13-29-15-7-9-16(10-8-15)35(32,33)30-23(27)28/h7-13H,1-6H3,(H4,27,28,30)/b29-13+	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	74	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492594 (CHEMBL2408079) Show SMILES Cc1ccnc(NS(=O)(=O)c2ccc(cc2)\N=C\c2c(Cl)c3ccccc3oc2=O)n1 Show InChI InChI=1S/C21H15ClN4O4S/c1-13-10-11-23-21(25-13)26-31(28,29)15-8-6-14(7-9-15)24-12-17-19(22)16-4-2-3-5-18(16)30-20(17)27/h2-12H,1H3,(H,23,25,26)/b24-12+	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	84	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492603 (CHEMBL2408076) Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)\N=C\c1c(Cl)c2ccccc2oc1=O Show InChI InChI=1S/C17H13ClN4O4S/c18-15-12-3-1-2-4-14(12)26-16(23)13(15)9-21-10-5-7-11(8-6-10)27(24,25)22-17(19)20/h1-9H,(H4,19,20,22)/b21-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492587 (CHEMBL2408086) Show SMILES Cc1ccc2oc(=O)c(\C=N\c3ccc(cc3)S(N)(=O)=O)c(Cl)c2c1 Show InChI InChI=1S/C17H13ClN2O4S/c1-10-2-7-15-13(8-10)16(18)14(17(21)24-15)9-20-11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)/b20-9+	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	85	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492586 (CHEMBL2408087) Show SMILES Cc1ccc2oc(=O)c(\C=N\c3ccc(cc3)S(=O)(=O)Nc3nccs3)c(Cl)c2c1 Show InChI InChI=1S/C20H14ClN3O4S2/c1-12-2-7-17-15(10-12)18(21)16(19(25)28-17)11-23-13-3-5-14(6-4-13)30(26,27)24-20-22-8-9-29-20/h2-11H,1H3,(H,22,24)/b23-11+	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	87	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492587 (CHEMBL2408086) Show SMILES Cc1ccc2oc(=O)c(\C=N\c3ccc(cc3)S(N)(=O)=O)c(Cl)c2c1 Show InChI InChI=1S/C17H13ClN2O4S/c1-10-2-7-15-13(8-10)16(18)14(17(21)24-15)9-20-11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)/b20-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492591 (CHEMBL2408083) Show SMILES Cc1cc(C)nc(NS(=O)(=O)c2ccc(cc2)\N=C\c2c(Cl)c3cc(cc(c3oc2=O)C(C)(C)C)C(C)(C)C)n1 Show InChI InChI=1S/C30H33ClN4O4S/c1-17-13-18(2)34-28(33-17)35-40(37,38)21-11-9-20(10-12-21)32-16-23-25(31)22-14-19(29(3,4)5)15-24(30(6,7)8)26(22)39-27(23)36/h9-16H,1-8H3,(H,33,34,35)/b32-16+	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	90	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492599 (CHEMBL2408074) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1c(Cl)c2ccccc2oc1=O Show InChI InChI=1S/C16H11ClN2O4S/c17-15-12-3-1-2-4-14(12)23-16(20)13(15)9-19-10-5-7-11(8-6-10)24(18,21)22/h1-9H,(H2,18,21,22)/b19-9+	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	91	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492598 (CHEMBL2408088) Show SMILES Cc1ccc2oc(=O)c(\C=N\c3ccc(cc3)S(=O)(=O)NC(N)=N)c(Cl)c2c1 Show InChI InChI=1S/C18H15ClN4O4S/c1-10-2-7-15-13(8-10)16(19)14(17(24)27-15)9-22-11-3-5-12(6-4-11)28(25,26)23-18(20)21/h2-9H,1H3,(H4,20,21,23)/b22-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492602 (CHEMBL2408082) Show SMILES CC(C)(C)c1cc(c2oc(=O)c(\C=N\c3ccc(cc3)S(=O)(=O)NC(N)=N)c(Cl)c2c1)C(C)(C)C Show InChI InChI=1S/C25H29ClN4O4S/c1-24(2,3)14-11-17-20(26)18(22(31)34-21(17)19(12-14)25(4,5)6)13-29-15-7-9-16(10-8-15)35(32,33)30-23(27)28/h7-13H,1-6H3,(H4,27,28,30)/b29-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492593 (CHEMBL2408080) Show SMILES CC(C)(C)c1cc(c2oc(=O)c(\C=N\c3ccc(cc3)S(N)(=O)=O)c(Cl)c2c1)C(C)(C)C Show InChI InChI=1S/C24H27ClN2O4S/c1-23(2,3)14-11-17-20(25)18(22(28)31-21(17)19(12-14)24(4,5)6)13-27-15-7-9-16(10-8-15)32(26,29)30/h7-13H,1-6H3,(H2,26,29,30)/b27-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50013397 (CHEMBL3263380) Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1ccc2ccccc2c1)C1=NC(=O)CS1 |t:9,27| Show InChI InChI=1S/C24H21N3OS/c1-15-7-8-19(11-16(15)2)21-13-22(27(26-21)24-25-23(28)14-29-24)20-10-9-17-5-3-4-6-18(17)12-20/h3-12,22H,13-14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...				Bioorg Med Chem Lett 24: 2324-8 (2014) Article DOI: 10.1016/j.bmcl.2014.03.072 BindingDB Entry DOI: 10.7270/Q2X63PGR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492586 (CHEMBL2408087) Show SMILES Cc1ccc2oc(=O)c(\C=N\c3ccc(cc3)S(=O)(=O)Nc3nccs3)c(Cl)c2c1 Show InChI InChI=1S/C20H14ClN3O4S2/c1-12-2-7-17-15(10-12)18(21)16(19(25)28-17)11-23-13-3-5-14(6-4-13)30(26,27)24-20-22-8-9-29-20/h2-11H,1H3,(H,22,24)/b23-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492597 (CHEMBL2408081) Show SMILES CC(C)(C)c1cc(c2oc(=O)c(\C=N\c3ccc(cc3)S(=O)(=O)Nc3nccs3)c(Cl)c2c1)C(C)(C)C Show InChI InChI=1S/C27H28ClN3O4S2/c1-26(2,3)16-13-19-22(28)20(24(32)35-23(19)21(14-16)27(4,5)6)15-30-17-7-9-18(10-8-17)37(33,34)31-25-29-11-12-36-25/h7-15H,1-6H3,(H,29,31)/b30-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492595 (CHEMBL2408077) Show SMILES Cc1cc(C)nc(NS(=O)(=O)c2ccc(cc2)\N=C\c2c(Cl)c3ccccc3oc2=O)n1 Show InChI InChI=1S/C22H17ClN4O4S/c1-13-11-14(2)26-22(25-13)27-32(29,30)16-9-7-15(8-10-16)24-12-18-20(23)17-5-3-4-6-19(17)31-21(18)28/h3-12H,1-2H3,(H,25,26,27)/b24-12+	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	124	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492596 (CHEMBL2408075) Show SMILES Clc1c(\C=N\c2ccc(cc2)S(=O)(=O)Nc2nccs2)c(=O)oc2ccccc12 Show InChI InChI=1S/C19H12ClN3O4S2/c20-17-14-3-1-2-4-16(14)27-18(24)15(17)11-22-12-5-7-13(8-6-12)29(25,26)23-19-21-9-10-28-19/h1-11H,(H,21,23)/b22-11+	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	138	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492592 (CHEMBL2408078) Show SMILES Cc1cc(NS(=O)(=O)c2ccc(cc2)\N=C\c2c(Cl)c3ccccc3oc2=O)no1 Show InChI InChI=1S/C20H14ClN3O5S/c1-12-10-18(23-29-12)24-30(26,27)14-8-6-13(7-9-14)22-11-16-19(21)15-4-2-3-5-17(15)28-20(16)25/h2-11H,1H3,(H,23,24)/b22-11+	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	141	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492601 (CHEMBL2408089) Show SMILES Cc1ccc2oc(=O)c(\C=N\c3ccc(cc3)S(=O)(=O)Nc3nc(C)cc(C)n3)c(Cl)c2c1 Show InChI InChI=1S/C23H19ClN4O4S/c1-13-4-9-20-18(10-13)21(24)19(22(29)32-20)12-25-16-5-7-17(8-6-16)33(30,31)28-23-26-14(2)11-15(3)27-23/h4-12H,1-3H3,(H,26,27,28)/b25-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492591 (CHEMBL2408083) Show SMILES Cc1cc(C)nc(NS(=O)(=O)c2ccc(cc2)\N=C\c2c(Cl)c3cc(cc(c3oc2=O)C(C)(C)C)C(C)(C)C)n1 Show InChI InChI=1S/C30H33ClN4O4S/c1-17-13-18(2)34-28(33-17)35-40(37,38)21-11-9-20(10-12-21)32-16-23-25(31)22-14-19(29(3,4)5)15-24(30(6,7)8)26(22)39-27(23)36/h9-16H,1-8H3,(H,33,34,35)/b32-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492588 (CHEMBL2408084) Show SMILES Cc1cc(NS(=O)(=O)c2ccc(cc2)\N=C\c2c(Cl)c3cc(cc(c3oc2=O)C(C)(C)C)C(C)(C)C)no1 Show InChI InChI=1S/C28H30ClN3O5S/c1-16-12-23(31-37-16)32-38(34,35)19-10-8-18(9-11-19)30-15-21-24(29)20-13-17(27(2,3)4)14-22(28(5,6)7)25(20)36-26(21)33/h8-15H,1-7H3,(H,31,32)/b30-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492603 (CHEMBL2408076) Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)\N=C\c1c(Cl)c2ccccc2oc1=O Show InChI InChI=1S/C17H13ClN4O4S/c18-15-12-3-1-2-4-14(12)26-16(23)13(15)9-21-10-5-7-11(8-6-10)27(24,25)22-17(19)20/h1-9H,(H4,19,20,22)/b21-9+	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	188	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492589 (CHEMBL2408090) Show SMILES Cc1cc(NS(=O)(=O)c2ccc(cc2)\N=C\c2c(Cl)c3cc(C)ccc3oc2=O)no1 Show InChI InChI=1S/C21H16ClN3O5S/c1-12-3-8-18-16(9-12)20(22)17(21(26)29-18)11-23-14-4-6-15(7-5-14)31(27,28)25-19-10-13(2)30-24-19/h3-11H,1-2H3,(H,24,25)/b23-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	217	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10857 (4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...) Show SMILES Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)	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	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10857 (4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...) Show SMILES Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)	PDB MMDB NCI pathway 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	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50013393 (CHEMBL3263373) Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1ccc2ccccc2c1)C1=NC(CS1)c1ccccc1 |t:9,27| Show InChI InChI=1S/C30H27N3S/c1-20-12-13-25(16-21(20)2)27-18-29(26-15-14-22-8-6-7-11-24(22)17-26)33(32-27)30-31-28(19-34-30)23-9-4-3-5-10-23/h3-17,28-29H,18-19H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...				Bioorg Med Chem Lett 24: 2324-8 (2014) Article DOI: 10.1016/j.bmcl.2014.03.072 BindingDB Entry DOI: 10.7270/Q2X63PGR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50013391 (CHEMBL3263366) Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1cccc2ccccc12)C1=NC(=O)CS1 |t:9,27| Show InChI InChI=1S/C24H21N3OS/c1-15-10-11-18(12-16(15)2)21-13-22(27(26-21)24-25-23(28)14-29-24)20-9-5-7-17-6-3-4-8-19(17)20/h3-12,22H,13-14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...				Bioorg Med Chem Lett 24: 2324-8 (2014) Article DOI: 10.1016/j.bmcl.2014.03.072 BindingDB Entry DOI: 10.7270/Q2X63PGR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50013395 (CHEMBL3263378) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C1=NC(=O)CS1 |t:9,27| Show InChI InChI=1S/C23H19N3O2S/c1-28-19-10-8-16(9-11-19)20-13-21(26(25-20)23-24-22(27)14-29-23)18-7-6-15-4-2-3-5-17(15)12-18/h2-12,21H,13-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...				Bioorg Med Chem Lett 24: 2324-8 (2014) Article DOI: 10.1016/j.bmcl.2014.03.072 BindingDB Entry DOI: 10.7270/Q2X63PGR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50013396 (CHEMBL3263379) Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C1=NC(=O)CS1 |t:8,26| Show InChI InChI=1S/C23H19N3OS/c1-15-6-8-17(9-7-15)20-13-21(26(25-20)23-24-22(27)14-28-23)19-11-10-16-4-2-3-5-18(16)12-19/h2-12,21H,13-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...				Bioorg Med Chem Lett 24: 2324-8 (2014) Article DOI: 10.1016/j.bmcl.2014.03.072 BindingDB Entry DOI: 10.7270/Q2X63PGR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50013389 (CHEMBL3263359) Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1cccc2ccccc12)C1=NC(CS1)c1ccccc1 |t:9,27| Show InChI InChI=1S/C30H27N3S/c1-20-15-16-24(17-21(20)2)27-18-29(26-14-8-12-22-9-6-7-13-25(22)26)33(32-27)30-31-28(19-34-30)23-10-4-3-5-11-23/h3-17,28-29H,18-19H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...				Bioorg Med Chem Lett 24: 2324-8 (2014) Article DOI: 10.1016/j.bmcl.2014.03.072 BindingDB Entry DOI: 10.7270/Q2X63PGR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50013392 (CHEMBL3263372) Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C1=NC(CS1)c1ccccc1 |t:8,26| Show InChI InChI=1S/C29H25N3S/c1-20-11-13-23(14-12-20)26-18-28(25-16-15-21-7-5-6-10-24(21)17-25)32(31-26)29-30-27(19-33-29)22-8-3-2-4-9-22/h2-17,27-28H,18-19H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...				Bioorg Med Chem Lett 24: 2324-8 (2014) Article DOI: 10.1016/j.bmcl.2014.03.072 BindingDB Entry DOI: 10.7270/Q2X63PGR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50013390 (CHEMBL3263364) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)C1=NC(=O)CS1 |t:9,27| Show InChI InChI=1S/C23H19N3O2S/c1-28-17-11-9-16(10-12-17)20-13-21(26(25-20)23-24-22(27)14-29-23)19-8-4-6-15-5-2-3-7-18(15)19/h2-12,21H,13-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...				Bioorg Med Chem Lett 24: 2324-8 (2014) Article DOI: 10.1016/j.bmcl.2014.03.072 BindingDB Entry DOI: 10.7270/Q2X63PGR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50013394 (CHEMBL3263374) Show SMILES O=C1CSC(=N1)N1N=C(CC1c1ccc2ccccc2c1)c1ccccc1 |c:4,8| Show InChI InChI=1S/C22H17N3OS/c26-21-14-27-22(23-21)25-20(13-19(24-25)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,20H,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...				Bioorg Med Chem Lett 24: 2324-8 (2014) Article DOI: 10.1016/j.bmcl.2014.03.072 BindingDB Entry DOI: 10.7270/Q2X63PGR
					More data for this Ligand-Target Pair