Compile Data Set for Download or QSAR

Found 100 hits Enz. Inhib. hit(s) with all data for entry = 50001469   

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 (Cryptococcus neoformans var. grubii (Filobasidiell...)	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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of Cryptococcus neoformans Can2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	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)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
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
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50279660 (CHEMBL4171057) Show SMILES CC(=O)c1ccc(NC(=O)Nc2ccc3COB(O)c3c2)cc1 Show InChI InChI=1S/C16H15BN2O4/c1-10(20)11-2-5-13(6-3-11)18-16(21)19-14-7-4-12-9-23-17(22)15(12)8-14/h2-8,22H,9H2,1H3,(H2,18,19,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50370987 (TAVABOROLE) Show SMILES OB1OCc2cc(F)ccc12 Show InChI InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description The compound was tested for inhibition of rat plasma renin at pH of 6.0.				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50279664 (CHEMBL4172094) Show SMILES OB1OCc2ccc(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)cc12 Show InChI InChI=1S/C14H10BCl3N2O3/c16-8-3-11(17)13(12(18)4-8)20-14(21)19-9-2-1-7-6-23-15(22)10(7)5-9/h1-5,22H,6H2,(H2,19,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279653 (CHEMBL4177136) Show SMILES OB1OCc2ccc(NC(=O)Nc3ccc(F)cc3)cc12 Show InChI InChI=1S/C14H12BFN2O3/c16-10-2-5-11(6-3-10)17-14(19)18-12-4-1-9-8-21-15(20)13(9)7-12/h1-7,20H,8H2,(H2,17,18,19)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of Candida glabrata Nce103 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50279653 (CHEMBL4177136) Show SMILES OB1OCc2ccc(NC(=O)Nc3ccc(F)cc3)cc12 Show InChI InChI=1S/C14H12BFN2O3/c16-10-2-5-11(6-3-10)17-14(19)18-12-4-1-9-8-21-15(20)13(9)7-12/h1-7,20H,8H2,(H2,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of Cryptococcus neoformans Can2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279654 (CHEMBL4163139) Show SMILES COc1cccc(C)c1NC(=O)Nc1ccc2COB(O)c2c1 Show InChI InChI=1S/C16H17BN2O4/c1-10-4-3-5-14(22-2)15(10)19-16(20)18-12-7-6-11-9-23-17(21)13(11)8-12/h3-8,21H,9H2,1-2H3,(H2,18,19,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of Candida glabrata Nce103 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50279676 (CHEMBL4159776) Show SMILES OB1OCc2ccc(NC(=S)Nc3ccc(cc3)[N+]([O-])=O)cc12 Show InChI InChI=1S/C14H12BN3O4S/c19-15-13-7-11(2-1-9(13)8-22-15)17-14(23)16-10-3-5-12(6-4-10)18(20)21/h1-7,19H,8H2,(H2,16,17,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279677 (CHEMBL4170654) Show SMILES Cc1cc(Cl)cc(CNC(=O)Nc2ccc3COB(O)c3c2)c1 Show InChI InChI=1S/C16H16BClN2O3/c1-10-4-11(6-13(18)5-10)8-19-16(21)20-14-3-2-12-9-23-17(22)15(12)7-14/h2-7,22H,8-9H2,1H3,(H2,19,20,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of Candida glabrata Nce103 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279664 (CHEMBL4172094) Show SMILES OB1OCc2ccc(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)cc12 Show InChI InChI=1S/C14H10BCl3N2O3/c16-8-3-11(17)13(12(18)4-8)20-14(21)19-9-2-1-7-6-23-15(22)10(7)5-9/h1-5,22H,6H2,(H2,19,20,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279670 (CHEMBL4174083) Show SMILES OB1OCc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc12 Show InChI InChI=1S/C14H12BClN2O3/c16-10-2-5-11(6-3-10)17-14(19)18-12-4-1-9-8-21-15(20)13(9)7-12/h1-7,20H,8H2,(H2,17,18,19)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50279662 (CHEMBL4163368) Show SMILES OB1OCc2ccc(NC(=O)Nc3ccccc3)cc12 Show InChI InChI=1S/C14H13BN2O3/c18-14(16-11-4-2-1-3-5-11)17-12-7-6-10-9-20-15(19)13(10)8-12/h1-8,19H,9H2,(H2,16,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50279673 (CHEMBL4161495) Show SMILES OB1OCc2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc12 Show InChI InChI=1S/C15H12BF3N2O3/c17-15(18,19)10-2-5-11(6-3-10)20-14(22)21-12-4-1-9-8-24-16(23)13(9)7-12/h1-7,23H,8H2,(H2,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of Cryptococcus neoformans Can2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279658 (CHEMBL4164241) Show SMILES COc1ccc(NC(=S)Nc2ccc3COB(O)c3c2)cc1 Show InChI InChI=1S/C15H15BN2O3S/c1-20-13-6-4-11(5-7-13)17-15(22)18-12-3-2-10-9-21-16(19)14(10)8-12/h2-8,19H,9H2,1H3,(H2,17,18,22)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of Candida glabrata Nce103 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279666 (CHEMBL4173293) Show SMILES OB1OCc2ccc(NC(=S)Nc3ccc(F)cc3)cc12 Show InChI InChI=1S/C14H12BFN2O2S/c16-10-2-5-11(6-3-10)17-14(21)18-12-4-1-9-8-20-15(19)13(9)7-12/h1-7,19H,8H2,(H2,17,18,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50279666 (CHEMBL4173293) Show SMILES OB1OCc2ccc(NC(=S)Nc3ccc(F)cc3)cc12 Show InChI InChI=1S/C14H12BFN2O2S/c16-10-2-5-11(6-3-10)17-14(21)18-12-4-1-9-8-20-15(19)13(9)7-12/h1-7,19H,8H2,(H2,17,18,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of Cryptococcus neoformans Can2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279662 (CHEMBL4163368) Show SMILES OB1OCc2ccc(NC(=O)Nc3ccccc3)cc12 Show InChI InChI=1S/C14H13BN2O3/c18-14(16-11-4-2-1-3-5-11)17-12-7-6-10-9-20-15(19)13(10)8-12/h1-8,19H,9H2,(H2,16,17,18)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50279657 (CHEMBL4175131) Show SMILES OB1OCc2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C7H6BNO4/c10-8-7-3-6(9(11)12)2-1-5(7)4-13-8/h1-3,10H,4H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of Cryptococcus neoformans Can2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50370987 (TAVABOROLE) Show SMILES OB1OCc2cc(F)ccc12 Show InChI InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of Cryptococcus neoformans Can2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50279658 (CHEMBL4164241) Show SMILES COc1ccc(NC(=S)Nc2ccc3COB(O)c3c2)cc1 Show InChI InChI=1S/C15H15BN2O3S/c1-20-13-6-4-11(5-7-13)17-15(22)18-12-3-2-10-9-21-16(19)14(10)8-12/h2-8,19H,9H2,1H3,(H2,17,18,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of Cryptococcus neoformans Can2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279657 (CHEMBL4175131) Show SMILES OB1OCc2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C7H6BNO4/c10-8-7-3-6(9(11)12)2-1-5(7)4-13-8/h1-3,10H,4H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of Candida glabrata Nce103 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279663 (CHEMBL4174497) Show SMILES Cc1ccc(NC(=S)Nc2ccc3COB(O)c3c2)cc1 Show InChI InChI=1S/C15H15BN2O2S/c1-10-2-5-12(6-3-10)17-15(21)18-13-7-4-11-9-20-16(19)14(11)8-13/h2-8,19H,9H2,1H3,(H2,17,18,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50279654 (CHEMBL4163139) Show SMILES COc1cccc(C)c1NC(=O)Nc1ccc2COB(O)c2c1 Show InChI InChI=1S/C16H17BN2O4/c1-10-4-3-5-14(22-2)15(10)19-16(20)18-12-7-6-11-9-23-17(21)13(11)8-12/h3-8,21H,9H2,1-2H3,(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Evaluated for the inhibition of DHFR from L1210 mouse leukemia cells				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50279670 (CHEMBL4174083) Show SMILES OB1OCc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc12 Show InChI InChI=1S/C14H12BClN2O3/c16-10-2-5-11(6-3-10)17-14(19)18-12-4-1-9-8-21-15(20)13(9)7-12/h1-7,20H,8H2,(H2,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of Cryptococcus neoformans Can2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50279669 (CHEMBL4167266) Show SMILES Nc1ccc2COB(O)c2c1 Show InChI InChI=1S/C7H8BNO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3,10H,4,9H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of Cryptococcus neoformans Can2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279672 (CHEMBL4166821) Show SMILES OB1OCc2ccc(NC(=O)NCc3ccco3)cc12 Show InChI InChI=1S/C13H13BN2O4/c17-13(15-7-11-2-1-5-19-11)16-10-4-3-9-8-20-14(18)12(9)6-10/h1-6,18H,7-8H2,(H2,15,16,17)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279673 (CHEMBL4161495) Show SMILES OB1OCc2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc12 Show InChI InChI=1S/C15H12BF3N2O3/c17-15(18,19)10-2-5-11(6-3-10)20-14(22)21-12-4-1-9-8-24-16(23)13(9)7-12/h1-7,23H,8H2,(H2,20,21,22)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279676 (CHEMBL4159776) Show SMILES OB1OCc2ccc(NC(=S)Nc3ccc(cc3)[N+]([O-])=O)cc12 Show InChI InChI=1S/C14H12BN3O4S/c19-15-13-7-11(2-1-9(13)8-22-15)17-14(23)16-10-3-5-12(6-4-10)18(20)21/h1-7,19H,8H2,(H2,16,17,23)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279671 (CHEMBL4176682) Show SMILES OB1OCc2ccc(NC(=S)Nc3ccccc3)cc12 Show InChI InChI=1S/C14H13BN2O2S/c18-15-13-8-12(7-6-10(13)9-19-15)17-14(20)16-11-4-2-1-3-5-11/h1-8,18H,9H2,(H2,16,17,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of Candida glabrata Nce103 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50279654 (CHEMBL4163139) Show SMILES COc1cccc(C)c1NC(=O)Nc1ccc2COB(O)c2c1 Show InChI InChI=1S/C16H17BN2O4/c1-10-4-3-5-14(22-2)15(10)19-16(20)18-12-7-6-11-9-23-17(21)13(11)8-12/h3-8,21H,9H2,1-2H3,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279661 (CHEMBL4166065) Show SMILES OB1OCc2ccc(NC(=S)Nc3ccc(cc3)C(F)(F)F)cc12 Show InChI InChI=1S/C15H12BF3N2O2S/c17-15(18,19)10-2-5-11(6-3-10)20-14(24)21-12-4-1-9-8-23-16(22)13(9)7-12/h1-7,22H,8H2,(H2,20,21,24)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of Candida glabrata Nce103 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50260103 (Benzo[C][1,2]Oxaborol-1(3H)-Ol | Benzoxaborole | C...) Show SMILES OB1OCc2ccccc12 Show InChI InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50279663 (CHEMBL4174497) Show SMILES Cc1ccc(NC(=S)Nc2ccc3COB(O)c3c2)cc1 Show InChI InChI=1S/C15H15BN2O2S/c1-10-2-5-12(6-3-10)17-15(21)18-13-7-4-11-9-20-16(19)14(11)8-13/h2-8,19H,9H2,1H3,(H2,17,18,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50279671 (CHEMBL4176682) Show SMILES OB1OCc2ccc(NC(=S)Nc3ccccc3)cc12 Show InChI InChI=1S/C14H13BN2O2S/c18-15-13-8-12(7-6-10(13)9-19-15)17-14(20)16-11-4-2-1-3-5-11/h1-8,18H,9H2,(H2,16,17,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	198	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279667 (CHEMBL4160012) Show SMILES OB1OCc2ccc(NC(=O)NCc3ccccc3)cc12 Show InChI InChI=1S/C15H15BN2O3/c19-15(17-9-11-4-2-1-3-5-11)18-13-7-6-12-10-21-16(20)14(12)8-13/h1-8,20H,9-10H2,(H2,17,18,19)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	201	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279660 (CHEMBL4171057) Show SMILES CC(=O)c1ccc(NC(=O)Nc2ccc3COB(O)c3c2)cc1 Show InChI InChI=1S/C16H15BN2O4/c1-10(20)11-2-5-13(6-3-11)18-16(21)19-14-7-4-12-9-23-17(22)15(12)8-14/h2-8,22H,9H2,1H3,(H2,18,19,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of Candida glabrata Nce103 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279675 (CHEMBL4166184) Show SMILES OB1OCc2ccc(NC(=S)NCc3ccco3)cc12 Show InChI InChI=1S/C13H13BN2O3S/c17-14-12-6-10(4-3-9(12)8-19-14)16-13(20)15-7-11-2-1-5-18-11/h1-6,17H,7-8H2,(H2,15,16,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50279653 (CHEMBL4177136) Show SMILES OB1OCc2ccc(NC(=O)Nc3ccc(F)cc3)cc12 Show InChI InChI=1S/C14H12BFN2O3/c16-10-2-5-11(6-3-10)17-14(19)18-12-4-1-9-8-21-15(20)13(9)7-12/h1-7,20H,8H2,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50279675 (CHEMBL4166184) Show SMILES OB1OCc2ccc(NC(=S)NCc3ccco3)cc12 Show InChI InChI=1S/C13H13BN2O3S/c17-14-12-6-10(4-3-9(12)8-19-14)16-13(20)15-7-11-2-1-5-18-11/h1-6,17H,7-8H2,(H2,15,16,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	236	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50279669 (CHEMBL4167266) Show SMILES Nc1ccc2COB(O)c2c1 Show InChI InChI=1S/C7H8BNO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3,10H,4,9H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	244	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Evaluated for the inhibition of dihydrofolate reductase from L1210 mouse leukemia cells				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50279654 (CHEMBL4163139) Show SMILES COc1cccc(C)c1NC(=O)Nc1ccc2COB(O)c2c1 Show InChI InChI=1S/C16H17BN2O4/c1-10-4-3-5-14(22-2)15(10)19-16(20)18-12-7-6-11-9-23-17(21)13(11)8-12/h3-8,21H,9H2,1-2H3,(H2,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	248	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against human liver Dihydropteridine reductase enzyme using 10 uM qBH2 and 50 uM NADH assays				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					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
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50279675 (CHEMBL4166184) Show SMILES OB1OCc2ccc(NC(=S)NCc3ccco3)cc12 Show InChI InChI=1S/C13H13BN2O3S/c17-14-12-6-10(4-3-9(12)8-19-14)16-13(20)15-7-11-2-1-5-18-11/h1-6,17H,7-8H2,(H2,15,16,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50260103 (Benzo[C][1,2]Oxaborol-1(3H)-Ol | Benzoxaborole | C...) Show SMILES OB1OCc2ccccc12 Show InChI InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50279664 (CHEMBL4172094) Show SMILES OB1OCc2ccc(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)cc12 Show InChI InChI=1S/C14H10BCl3N2O3/c16-8-3-11(17)13(12(18)4-8)20-14(21)19-9-2-1-7-6-23-15(22)10(7)5-9/h1-5,22H,6H2,(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	272	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50279661 (CHEMBL4166065) Show SMILES OB1OCc2ccc(NC(=S)Nc3ccc(cc3)C(F)(F)F)cc12 Show InChI InChI=1S/C15H12BF3N2O2S/c17-15(18,19)10-2-5-11(6-3-10)20-14(24)21-12-4-1-9-8-23-16(22)13(9)7-12/h1-7,22H,8H2,(H2,20,21,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50279677 (CHEMBL4170654) Show SMILES Cc1cc(Cl)cc(CNC(=O)Nc2ccc3COB(O)c3c2)c1 Show InChI InChI=1S/C16H16BClN2O3/c1-10-4-11(6-13(18)5-10)8-19-16(21)20-14-3-2-12-9-23-17(22)15(12)7-14/h2-7,22H,8-9H2,1H3,(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	276	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50279672 (CHEMBL4166821) Show SMILES OB1OCc2ccc(NC(=O)NCc3ccco3)cc12 Show InChI InChI=1S/C13H13BN2O4/c17-13(15-7-11-2-1-5-19-11)16-10-4-3-9-8-20-14(18)12(9)6-10/h1-6,18H,7-8H2,(H2,15,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	283	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 100 total )  |  Next  |  Last  >>

Jump to: