Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'maruca' 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 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
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 5A, mitochondrial (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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50515493 (CHEMBL4567642) Show SMILES Nc1ccc2c(n1)[nH]c1ccccc21 Show InChI InChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50515490 (CHEMBL4466188) Show SMILES [H][C@]12SCC(CO)=C(N1C(=O)[C@H]2NC(=O)CSc1ccncc1)C(O)=O |r,c:6| Show InChI InChI=1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23)/t11-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50515486 (CHEMBL4475227) Show SMILES COc1cc(CC(O)=O)ccc1OS(O)(=O)=O Show InChI InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50248004 (CHEBI:63599 | Fludara | Fludarabine | Fludarabine ...) Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O Show InChI InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					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
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50515492 (60231/4 | Banzel | CGP 33101 | CGP-33101 | E-2080 ...) Show SMILES NC(=O)c1cn(Cc2c(F)cccc2F)nn1 Show InChI InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	344	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50255980 (3, 5-dihydroxyacetophenone | CHEMBL507042) Show SMILES CC(=O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	539	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50515487 (CHEMBL4444937) Show SMILES Fc1cccc(Cl)c1\C=N/NC(=O)CCNc1n[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C13H12ClFN6O3/c14-8-2-1-3-9(15)7(8)6-17-19-10(22)4-5-16-11-12(23)18-13(24)21-20-11/h1-3,6H,4-5H2,(H,16,20)(H,19,22)(H2,18,21,23,24)/b17-6-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	997	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50515488 (CHEMBL4518150) Show SMILES Clc1ccc(CSc2n[nH]c(=O)[nH]c2=O)c(Cl)c1 Show InChI InChI=1S/C10H7Cl2N3O2S/c11-6-2-1-5(7(12)3-6)4-18-9-8(16)13-10(17)15-14-9/h1-3H,4H2,(H2,13,15,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50515485 (CHEMBL3195633) Show SMILES Oc1nnc(CC(=O)N\N=C\c2c(O)ccc3ccccc23)c(O)n1 Show InChI InChI=1S/C16H13N5O4/c22-13-6-5-9-3-1-2-4-10(9)11(13)8-17-20-14(23)7-12-15(24)18-16(25)21-19-12/h1-6,8,22H,7H2,(H,20,23)(H2,18,21,24,25)/b17-8+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50515489 (CHEMBL4472009) Show SMILES Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)cnc2[nH]1 |r| Show InChI InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	9.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515491 (CHEMBL4440525) Show SMILES Clc1ccc(cc1)C(=O)COc1ccc2c3CCCc3c(=O)oc2c1 Show InChI InChI=1S/C20H15ClO4/c21-13-6-4-12(5-7-13)18(22)11-24-14-8-9-16-15-2-1-3-17(15)20(23)25-19(16)10-14/h4-10H,1-3,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515493 (CHEMBL4567642) Show SMILES Nc1ccc2c(n1)[nH]c1ccccc21 Show InChI InChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515486 (CHEMBL4475227) Show SMILES COc1cc(CC(O)=O)ccc1OS(O)(=O)=O Show InChI InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50248004 (CHEBI:63599 | Fludara | Fludarabine | Fludarabine ...) Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515485 (CHEMBL3195633) Show SMILES Oc1nnc(CC(=O)N\N=C\c2c(O)ccc3ccccc23)c(O)n1 Show InChI InChI=1S/C16H13N5O4/c22-13-6-5-9-3-1-2-4-10(9)11(13)8-17-20-14(23)7-12-15(24)18-16(25)21-19-12/h1-6,8,22H,7H2,(H,20,23)(H2,18,21,24,25)/b17-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515487 (CHEMBL4444937) Show SMILES Fc1cccc(Cl)c1\C=N/NC(=O)CCNc1n[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C13H12ClFN6O3/c14-8-2-1-3-9(15)7(8)6-17-19-10(22)4-5-16-11-12(23)18-13(24)21-20-11/h1-3,6H,4-5H2,(H,16,20)(H,19,22)(H2,18,21,23,24)/b17-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50515490 (CHEMBL4466188) Show SMILES [H][C@]12SCC(CO)=C(N1C(=O)[C@H]2NC(=O)CSc1ccncc1)C(O)=O |r,c:6| Show InChI InChI=1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23)/t11-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O Show InChI InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50255980 (3, 5-dihydroxyacetophenone | CHEMBL507042) Show SMILES CC(=O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50515486 (CHEMBL4475227) Show SMILES COc1cc(CC(O)=O)ccc1OS(O)(=O)=O Show InChI InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50515493 (CHEMBL4567642) Show SMILES Nc1ccc2c(n1)[nH]c1ccccc21 Show InChI InChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50515492 (60231/4 | Banzel | CGP 33101 | CGP-33101 | E-2080 ...) Show SMILES NC(=O)c1cn(Cc2c(F)cccc2F)nn1 Show InChI InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50515485 (CHEMBL3195633) Show SMILES Oc1nnc(CC(=O)N\N=C\c2c(O)ccc3ccccc23)c(O)n1 Show InChI InChI=1S/C16H13N5O4/c22-13-6-5-9-3-1-2-4-10(9)11(13)8-17-20-14(23)7-12-15(24)18-16(25)21-19-12/h1-6,8,22H,7H2,(H,20,23)(H2,18,21,24,25)/b17-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50255980 (3, 5-dihydroxyacetophenone | CHEMBL507042) Show SMILES CC(=O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50515491 (CHEMBL4440525) Show SMILES Clc1ccc(cc1)C(=O)COc1ccc2c3CCCc3c(=O)oc2c1 Show InChI InChI=1S/C20H15ClO4/c21-13-6-4-12(5-7-13)18(22)11-24-14-8-9-16-15-2-1-3-17(15)20(23)25-19(16)10-14/h4-10H,1-3,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50248004 (CHEBI:63599 | Fludara | Fludarabine | Fludarabine ...) Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50515489 (CHEMBL4472009) Show SMILES Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)cnc2[nH]1 |r| Show InChI InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515488 (CHEMBL4518150) Show SMILES Clc1ccc(CSc2n[nH]c(=O)[nH]c2=O)c(Cl)c1 Show InChI InChI=1S/C10H7Cl2N3O2S/c11-6-2-1-5(7(12)3-6)4-18-9-8(16)13-10(17)15-14-9/h1-3H,4H2,(H2,13,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O Show InChI InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515490 (CHEMBL4466188) Show SMILES [H][C@]12SCC(CO)=C(N1C(=O)[C@H]2NC(=O)CSc1ccncc1)C(O)=O |r,c:6| Show InChI InChI=1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23)/t11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50515491 (CHEMBL4440525) Show SMILES Clc1ccc(cc1)C(=O)COc1ccc2c3CCCc3c(=O)oc2c1 Show InChI InChI=1S/C20H15ClO4/c21-13-6-4-12(5-7-13)18(22)11-24-14-8-9-16-15-2-1-3-17(15)20(23)25-19(16)10-14/h4-10H,1-3,11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50515488 (CHEMBL4518150) Show SMILES Clc1ccc(CSc2n[nH]c(=O)[nH]c2=O)c(Cl)c1 Show InChI InChI=1S/C10H7Cl2N3O2S/c11-6-2-1-5(7(12)3-6)4-18-9-8(16)13-10(17)15-14-9/h1-3H,4H2,(H2,13,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50515487 (CHEMBL4444937) Show SMILES Fc1cccc(Cl)c1\C=N/NC(=O)CCNc1n[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C13H12ClFN6O3/c14-8-2-1-3-9(15)7(8)6-17-19-10(22)4-5-16-11-12(23)18-13(24)21-20-11/h1-3,6H,4-5H2,(H,16,20)(H,19,22)(H2,18,21,23,24)/b17-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515489 (CHEMBL4472009) Show SMILES Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)cnc2[nH]1 |r| Show InChI InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515492 (60231/4 | Banzel | CGP 33101 | CGP-33101 | E-2080 ...) Show SMILES NC(=O)c1cn(Cc2c(F)cccc2F)nn1 Show InChI InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565 BindingDB Entry DOI: 10.7270/Q2QF8X7Z
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50300690 (1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114292 BindingDB Entry DOI: 10.7270/Q2BC43NS
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50604641 (CHEMBL5183674) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c-4c(CCc5c[nH]cc-45)sc3n2)no1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114292 BindingDB Entry DOI: 10.7270/Q2BC43NS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50566806 (CHEMBL4855359) Show SMILES Clc1cccc(NC(=O)c2csc3ccccc3c2=O)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN- 5B1-4 insect cells using kynuramine as substrate preincubated for 10 ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00510 BindingDB Entry DOI: 10.7270/Q2N87FH1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50453019 (CHEMBL4206812) Show SMILES Clc1cccc(NC(=O)c2coc3ccccc3c2=O)c1 Show InChI InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN- 5B1-4 insect cells using kynuramine as substrate preincubated for 10 ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00510 BindingDB Entry DOI: 10.7270/Q2N87FH1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50453020 (CHEMBL4209203) Show SMILES Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C Show InChI InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN- 5B1-4 insect cells using kynuramine as substrate preincubated for 10 ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00510 BindingDB Entry DOI: 10.7270/Q2N87FH1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50566799 (CHEMBL1470839) Show SMILES Clc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1Cl |t:8| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN- 5B1-4 insect cells using kynuramine as substrate preincubated for 10 ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00510 BindingDB Entry DOI: 10.7270/Q2N87FH1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN- 5B1-4 insect cells using kynuramine as substrate preincubated for 10 ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00510 BindingDB Entry DOI: 10.7270/Q2N87FH1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50566805 (CHEMBL4870887) Show SMILES Cc1ccc(NC(=O)c2csc3ccccc3c2=O)cc1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN- 5B1-4 insect cells using kynuramine as substrate preincubated for 10 ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00510 BindingDB Entry DOI: 10.7270/Q2N87FH1
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50300690 (1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114292 BindingDB Entry DOI: 10.7270/Q2BC43NS
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50604641 (CHEMBL5183674) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c-4c(CCc5c[nH]cc-45)sc3n2)no1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114292 BindingDB Entry DOI: 10.7270/Q2BC43NS
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50604642 (CHEMBL5206333) Show SMILES Cn1cc2CCc3sc4nc(cn4c3-c2c1)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114292 BindingDB Entry DOI: 10.7270/Q2BC43NS
					More data for this Ligand-Target Pair

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