Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'larcher' and Initial = 'a'   

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 12 (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	PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped fl...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50502612 (CHEMBL4539935) Show SMILES OB1OCc2ccc(cc12)C(O)=O Show InChI InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped fl...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50502614 (CHEMBL4558585) Show SMILES OB1OCc2ccc(NC(=O)CC[C@H](NC(=O)OCc3ccccc3)C(=O)Nc3ccc4COB(O)c4c3)cc12 |r| Show InChI InChI=1S/C27H27B2N3O8/c33-25(30-20-8-6-18-15-39-28(36)22(18)12-20)11-10-24(32-27(35)38-14-17-4-2-1-3-5-17)26(34)31-21-9-7-19-16-40-29(37)23(19)13-21/h1-9,12-13,24,36-37H,10-11,14-16H2,(H,30,33)(H,31,34)(H,32,35)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (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 PDB Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50502607 (CHEMBL4530524) Show SMILES OB1OCc2ccc(NC(=O)CCCCC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C20H22B2N2O6/c25-19(23-15-7-5-13-11-29-21(27)17(13)9-15)3-1-2-4-20(26)24-16-8-6-14-12-30-22(28)18(14)10-16/h5-10,27-28H,1-4,11-12H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped fl...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50502614 (CHEMBL4558585) Show SMILES OB1OCc2ccc(NC(=O)CC[C@H](NC(=O)OCc3ccccc3)C(=O)Nc3ccc4COB(O)c4c3)cc12 |r| Show InChI InChI=1S/C27H27B2N3O8/c33-25(30-20-8-6-18-15-39-28(36)22(18)12-20)11-10-24(32-27(35)38-14-17-4-2-1-3-5-17)26(34)31-21-9-7-19-16-40-29(37)23(19)13-21/h1-9,12-13,24,36-37H,10-11,14-16H2,(H,30,33)(H,31,34)(H,32,35)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped fl...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50502604 (CHEMBL4575821) Show SMILES OB1OCc2ccc(NC(=O)CC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C17H16B2N2O6/c22-16(20-12-3-1-10-8-26-18(24)14(10)5-12)7-17(23)21-13-4-2-11-9-27-19(25)15(11)6-13/h1-6,24-25H,7-9H2,(H,20,22)(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped fl...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50502604 (CHEMBL4575821) Show SMILES OB1OCc2ccc(NC(=O)CC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C17H16B2N2O6/c22-16(20-12-3-1-10-8-26-18(24)14(10)5-12)7-17(23)21-13-4-2-11-9-27-19(25)15(11)6-13/h1-6,24-25H,7-9H2,(H,20,22)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50502612 (CHEMBL4539935) Show SMILES OB1OCc2ccc(cc12)C(O)=O Show InChI InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50502605 (CHEMBL4540966) Show SMILES OB1OCc2ccc(cc12)\N=C\c1ccc(\C=N\c2ccc3COB(O)c3c2)s1 Show InChI InChI=1S/C20H16B2N2O4S/c25-21-19-7-15(3-1-13(19)11-27-21)23-9-17-5-6-18(29-17)10-24-16-4-2-14-12-28-22(26)20(14)8-16/h1-10,25-26H,11-12H2/b23-9+,24-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped fl...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50502605 (CHEMBL4540966) Show SMILES OB1OCc2ccc(cc12)\N=C\c1ccc(\C=N\c2ccc3COB(O)c3c2)s1 Show InChI InChI=1S/C20H16B2N2O4S/c25-21-19-7-15(3-1-13(19)11-27-21)23-9-17-5-6-18(29-17)10-24-16-4-2-14-12-28-22(26)20(14)8-16/h1-10,25-26H,11-12H2/b23-9+,24-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (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	DrugBank PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50502606 (CHEMBL4539159) Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc2COB(O)c2c1)C(=O)Nc1ccc2COB(O)c2c1 |r| Show InChI InChI=1S/C23H27B2N3O8/c1-23(2,3)36-22(31)28-19(21(30)27-16-7-5-14-12-35-25(33)18(14)9-16)10-20(29)26-15-6-4-13-11-34-24(32)17(13)8-15/h4-9,19,32-33H,10-12H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50502614 (CHEMBL4558585) Show SMILES OB1OCc2ccc(NC(=O)CC[C@H](NC(=O)OCc3ccccc3)C(=O)Nc3ccc4COB(O)c4c3)cc12 |r| Show InChI InChI=1S/C27H27B2N3O8/c33-25(30-20-8-6-18-15-39-28(36)22(18)12-20)11-10-24(32-27(35)38-14-17-4-2-1-3-5-17)26(34)31-21-9-7-19-16-40-29(37)23(19)13-21/h1-9,12-13,24,36-37H,10-11,14-16H2,(H,30,33)(H,31,34)(H,32,35)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50502607 (CHEMBL4530524) Show SMILES OB1OCc2ccc(NC(=O)CCCCC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C20H22B2N2O6/c25-19(23-15-7-5-13-11-29-21(27)17(13)9-15)3-1-2-4-20(26)24-16-8-6-14-12-30-22(28)18(14)10-16/h5-10,27-28H,1-4,11-12H2,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	312	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50502604 (CHEMBL4575821) Show SMILES OB1OCc2ccc(NC(=O)CC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C17H16B2N2O6/c22-16(20-12-3-1-10-8-26-18(24)14(10)5-12)7-17(23)21-13-4-2-11-9-27-19(25)15(11)6-13/h1-6,24-25H,7-9H2,(H,20,22)(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50502609 (CHEMBL4464046) Show SMILES OB1OCc2ccc(NC(=O)CCC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C18H18B2N2O6/c23-17(21-13-3-1-11-9-27-19(25)15(11)7-13)5-6-18(24)22-14-4-2-12-10-28-20(26)16(12)8-14/h1-4,7-8,25-26H,5-6,9-10H2,(H,21,23)(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	342	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50502612 (CHEMBL4539935) Show SMILES OB1OCc2ccc(cc12)C(O)=O Show InChI InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50502609 (CHEMBL4464046) Show SMILES OB1OCc2ccc(NC(=O)CCC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C18H18B2N2O6/c23-17(21-13-3-1-11-9-27-19(25)15(11)7-13)5-6-18(24)22-14-4-2-12-10-28-20(26)16(12)8-14/h1-4,7-8,25-26H,5-6,9-10H2,(H,21,23)(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	404	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped fl...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50502611 (CHEMBL4532459) Show SMILES OB1OCc2ccc(NC(=O)c3cc(cc(c3)C(=O)Nc3ccc4COB(O)c4c3)C(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C30H24B3N3O9/c37-28(34-22-4-1-16-13-43-31(40)25(16)10-22)19-7-20(29(38)35-23-5-2-17-14-44-32(41)26(17)11-23)9-21(8-19)30(39)36-24-6-3-18-15-45-33(42)27(18)12-24/h1-12,40-42H,13-15H2,(H,34,37)(H,35,38)(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	528	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped fl...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50502607 (CHEMBL4530524) Show SMILES OB1OCc2ccc(NC(=O)CCCCC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C20H22B2N2O6/c25-19(23-15-7-5-13-11-29-21(27)17(13)9-15)3-1-2-4-20(26)24-16-8-6-14-12-30-22(28)18(14)10-16/h5-10,27-28H,1-4,11-12H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	541	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50502606 (CHEMBL4539159) Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc2COB(O)c2c1)C(=O)Nc1ccc2COB(O)c2c1 |r| Show InChI InChI=1S/C23H27B2N3O8/c1-23(2,3)36-22(31)28-19(21(30)27-16-7-5-14-12-35-25(33)18(14)9-16)10-20(29)26-15-6-4-13-11-34-24(32)17(13)8-15/h4-9,19,32-33H,10-12H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped fl...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50502609 (CHEMBL4464046) Show SMILES OB1OCc2ccc(NC(=O)CCC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C18H18B2N2O6/c23-17(21-13-3-1-11-9-27-19(25)15(11)7-13)5-6-18(24)22-14-4-2-12-10-28-20(26)16(12)8-14/h1-4,7-8,25-26H,5-6,9-10H2,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50502613 (CHEMBL4542829) Show SMILES OB1OCc2ccc(NC(=O)C\C=C\CC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C20H20B2N2O6/c25-19(23-15-7-5-13-11-29-21(27)17(13)9-15)3-1-2-4-20(26)24-16-8-6-14-12-30-22(28)18(14)10-16/h1-2,5-10,27-28H,3-4,11-12H2,(H,23,25)(H,24,26)/b2-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	811	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped fl...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50502606 (CHEMBL4539159) Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc2COB(O)c2c1)C(=O)Nc1ccc2COB(O)c2c1 |r| Show InChI InChI=1S/C23H27B2N3O8/c1-23(2,3)36-22(31)28-19(21(30)27-16-7-5-14-12-35-25(33)18(14)9-16)10-20(29)26-15-6-4-13-11-34-24(32)17(13)8-15/h4-9,19,32-33H,10-12H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	813	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50502615 (CHEMBL4474840) Show SMILES OB1OCc2ccc(NC3C(Nc4ccc5COB(O)c5c4)C(=O)C3=O)cc12 Show InChI InChI=1S/C18H16B2N2O6/c23-17-15(21-11-3-1-9-7-27-19(25)13(9)5-11)16(18(17)24)22-12-4-2-10-8-28-20(26)14(10)6-12/h1-6,15-16,21-22,25-26H,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	822	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped fl...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50502612 (CHEMBL4539935) Show SMILES OB1OCc2ccc(cc12)C(O)=O Show InChI InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50502604 (CHEMBL4575821) Show SMILES OB1OCc2ccc(NC(=O)CC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C17H16B2N2O6/c22-16(20-12-3-1-10-8-26-18(24)14(10)5-12)7-17(23)21-13-4-2-11-9-27-19(25)15(11)6-13/h1-6,24-25H,7-9H2,(H,20,22)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	886	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50502606 (CHEMBL4539159) Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc2COB(O)c2c1)C(=O)Nc1ccc2COB(O)c2c1 |r| Show InChI InChI=1S/C23H27B2N3O8/c1-23(2,3)36-22(31)28-19(21(30)27-16-7-5-14-12-35-25(33)18(14)9-16)10-20(29)26-15-6-4-13-11-34-24(32)17(13)8-15/h4-9,19,32-33H,10-12H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	908	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50502613 (CHEMBL4542829) Show SMILES OB1OCc2ccc(NC(=O)C\C=C\CC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C20H20B2N2O6/c25-19(23-15-7-5-13-11-29-21(27)17(13)9-15)3-1-2-4-20(26)24-16-8-6-14-12-30-22(28)18(14)10-16/h1-2,5-10,27-28H,3-4,11-12H2,(H,23,25)(H,24,26)/b2-1+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50502612 (CHEMBL4539935) Show SMILES OB1OCc2ccc(cc12)C(O)=O Show InChI InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50502608 (CHEMBL4520305) Show SMILES OB1OCc2ccc(NC(=O)\C=C\C(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C18H16B2N2O6/c23-17(21-13-3-1-11-9-27-19(25)15(11)7-13)5-6-18(24)22-14-4-2-12-10-28-20(26)16(12)8-14/h1-8,25-26H,9-10H2,(H,21,23)(H,22,24)/b6-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50502610 (CHEMBL4466186) Show SMILES OB1OCc2ccc(NC(=O)\C=C\C=C\C(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C20H18B2N2O6/c25-19(23-15-7-5-13-11-29-21(27)17(13)9-15)3-1-2-4-20(26)24-16-8-6-14-12-30-22(28)18(14)10-16/h1-10,27-28H,11-12H2,(H,23,25)(H,24,26)/b3-1+,4-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped fl...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50502607 (CHEMBL4530524) Show SMILES OB1OCc2ccc(NC(=O)CCCCC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C20H22B2N2O6/c25-19(23-15-7-5-13-11-29-21(27)17(13)9-15)3-1-2-4-20(26)24-16-8-6-14-12-30-22(28)18(14)10-16/h5-10,27-28H,1-4,11-12H2,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50502608 (CHEMBL4520305) Show SMILES OB1OCc2ccc(NC(=O)\C=C\C(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C18H16B2N2O6/c23-17(21-13-3-1-11-9-27-19(25)15(11)7-13)5-6-18(24)22-14-4-2-12-10-28-20(26)16(12)8-14/h1-8,25-26H,9-10H2,(H,21,23)(H,22,24)/b6-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50502614 (CHEMBL4558585) Show SMILES OB1OCc2ccc(NC(=O)CC[C@H](NC(=O)OCc3ccccc3)C(=O)Nc3ccc4COB(O)c4c3)cc12 |r| Show InChI InChI=1S/C27H27B2N3O8/c33-25(30-20-8-6-18-15-39-28(36)22(18)12-20)11-10-24(32-27(35)38-14-17-4-2-1-3-5-17)26(34)31-21-9-7-19-16-40-29(37)23(19)13-21/h1-9,12-13,24,36-37H,10-11,14-16H2,(H,30,33)(H,31,34)(H,32,35)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50502615 (CHEMBL4474840) Show SMILES OB1OCc2ccc(NC3C(Nc4ccc5COB(O)c5c4)C(=O)C3=O)cc12 Show InChI InChI=1S/C18H16B2N2O6/c23-17-15(21-11-3-1-9-7-27-19(25)13(9)5-11)16(18(17)24)22-12-4-2-10-8-28-20(26)14(10)6-12/h1-6,15-16,21-22,25-26H,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50502605 (CHEMBL4540966) Show SMILES OB1OCc2ccc(cc12)\N=C\c1ccc(\C=N\c2ccc3COB(O)c3c2)s1 Show InChI InChI=1S/C20H16B2N2O4S/c25-21-19-7-15(3-1-13(19)11-27-21)23-9-17-5-6-18(29-17)10-24-16-4-2-14-12-28-22(26)20(14)8-16/h1-10,25-26H,11-12H2/b23-9+,24-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50502613 (CHEMBL4542829) Show SMILES OB1OCc2ccc(NC(=O)C\C=C\CC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C20H20B2N2O6/c25-19(23-15-7-5-13-11-29-21(27)17(13)9-15)3-1-2-4-20(26)24-16-8-6-14-12-30-22(28)18(14)10-16/h1-2,5-10,27-28H,3-4,11-12H2,(H,23,25)(H,24,26)/b2-1+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50502613 (CHEMBL4542829) Show SMILES OB1OCc2ccc(NC(=O)C\C=C\CC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C20H20B2N2O6/c25-19(23-15-7-5-13-11-29-21(27)17(13)9-15)3-1-2-4-20(26)24-16-8-6-14-12-30-22(28)18(14)10-16/h1-2,5-10,27-28H,3-4,11-12H2,(H,23,25)(H,24,26)/b2-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50502609 (CHEMBL4464046) Show SMILES OB1OCc2ccc(NC(=O)CCC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C18H18B2N2O6/c23-17(21-13-3-1-11-9-27-19(25)15(11)7-13)5-6-18(24)22-14-4-2-12-10-28-20(26)16(12)8-14/h1-4,7-8,25-26H,5-6,9-10H2,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50502615 (CHEMBL4474840) Show SMILES OB1OCc2ccc(NC3C(Nc4ccc5COB(O)c5c4)C(=O)C3=O)cc12 Show InChI InChI=1S/C18H16B2N2O6/c23-17-15(21-11-3-1-9-7-27-19(25)13(9)5-11)16(18(17)24)22-12-4-2-10-8-28-20(26)14(10)6-12/h1-6,15-16,21-22,25-26H,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50502608 (CHEMBL4520305) Show SMILES OB1OCc2ccc(NC(=O)\C=C\C(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C18H16B2N2O6/c23-17(21-13-3-1-11-9-27-19(25)15(11)7-13)5-6-18(24)22-14-4-2-12-10-28-20(26)16(12)8-14/h1-8,25-26H,9-10H2,(H,21,23)(H,22,24)/b6-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped fl...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50502615 (CHEMBL4474840) Show SMILES OB1OCc2ccc(NC3C(Nc4ccc5COB(O)c5c4)C(=O)C3=O)cc12 Show InChI InChI=1S/C18H16B2N2O6/c23-17-15(21-11-3-1-9-7-27-19(25)13(9)5-11)16(18(17)24)22-12-4-2-10-8-28-20(26)14(10)6-12/h1-6,15-16,21-22,25-26H,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50502608 (CHEMBL4520305) Show SMILES OB1OCc2ccc(NC(=O)\C=C\C(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C18H16B2N2O6/c23-17(21-13-3-1-11-9-27-19(25)15(11)7-13)5-6-18(24)22-14-4-2-12-10-28-20(26)16(12)8-14/h1-8,25-26H,9-10H2,(H,21,23)(H,22,24)/b6-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50502610 (CHEMBL4466186) Show SMILES OB1OCc2ccc(NC(=O)\C=C\C=C\C(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C20H18B2N2O6/c25-19(23-15-7-5-13-11-29-21(27)17(13)9-15)3-1-2-4-20(26)24-16-8-6-14-12-30-22(28)18(14)10-16/h1-10,27-28H,11-12H2,(H,23,25)(H,24,26)/b3-1+,4-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50502607 (CHEMBL4530524) Show SMILES OB1OCc2ccc(NC(=O)CCCCC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C20H22B2N2O6/c25-19(23-15-7-5-13-11-29-21(27)17(13)9-15)3-1-2-4-20(26)24-16-8-6-14-12-30-22(28)18(14)10-16/h5-10,27-28H,1-4,11-12H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50502610 (CHEMBL4466186) Show SMILES OB1OCc2ccc(NC(=O)\C=C\C=C\C(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C20H18B2N2O6/c25-19(23-15-7-5-13-11-29-21(27)17(13)9-15)3-1-2-4-20(26)24-16-8-6-14-12-30-22(28)18(14)10-16/h1-10,27-28H,11-12H2,(H,23,25)(H,24,26)/b3-1+,4-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair

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