Compile Data Set for Download or QSAR

Found 1919 hits with Last Name = 'probst' and Initial = 'g'   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50193861 (5-chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(N,N-dimet...) Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C22H19Cl2N5O2/c1-29(2)20(25)13-3-5-14(6-4-13)21(30)27-18-9-7-15(23)11-17(18)22(31)28-19-10-8-16(24)12-26-19/h3-12,25H,1-2H3,(H,27,30)(H,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50249120 (CHEMBL472967 | N-(4-chloro-2-(5-chloropyridin-2-yl...) Show SMILES CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1 Show InChI InChI=1S/C22H18Cl2FN5O2/c1-30(2)20(26)12-3-6-15(17(25)9-12)21(31)28-18-7-4-13(23)10-16(18)22(32)29-19-8-5-14(24)11-27-19/h3-11,26H,1-2H3,(H,28,31)(H,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19023 (1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50249423 (CHEMBL515919 | N-(2-(5-chloropyridin-2-ylcarbamoyl...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2F)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C23H21ClFN5O3/c1-30(2)21(26)13-4-7-16(18(25)10-13)22(31)28-19-8-6-15(33-3)11-17(19)23(32)29-20-9-5-14(24)12-27-20/h4-12,26H,1-3H3,(H,28,31)(H,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50249298 (BEVYXXA | CHEMBL512351 | N-(5-chloropyridin-2-yl)-...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)	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	0.117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM7840 (RIVAROXABAN | US8822458, 44 | US8822458, 97) Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50249295 (CHEMBL471725 | N-(5-chloropyridin-2-yl)-2-(4-(N,N-...) Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C22H20ClN5O2/c1-28(2)20(24)14-7-9-15(10-8-14)21(29)26-18-6-4-3-5-17(18)22(30)27-19-12-11-16(23)13-25-19/h3-13,24H,1-2H3,(H,26,29)(H,25,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087372 (2-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES COC(=O)c1cc(C)ccc1CCCn1cnc2C(O)CNC=Nc12 |c:23| Show InChI InChI=1S/C18H22N4O3/c1-12-5-6-13(14(8-12)18(24)25-2)4-3-7-22-11-21-16-15(23)9-19-10-20-17(16)22/h5-6,8,10-11,15,23H,3-4,7,9H2,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087365 (3-[3-(2-methyl-5-{[(methylamino)oxy]carbonyl}pheny...) Show SMILES CNOC(=O)c1ccc(C)c(CCCn2cnc3C(O)CNC=Nc23)c1 |c:22| Show InChI InChI=1S/C18H23N5O3/c1-12-5-6-14(18(25)26-19-2)8-13(12)4-3-7-23-11-22-16-15(24)9-20-10-21-17(16)23/h5-6,8,10-11,15,19,24H,3-4,7,9H2,1-2H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087364 (2-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES COC(=O)c1ccc(C)cc1CCCn1cnc2C(O)CNC=Nc12 |c:23| Show InChI InChI=1S/C18H22N4O3/c1-12-5-6-14(18(24)25-2)13(8-12)4-3-7-22-11-21-16-15(23)9-19-10-20-17(16)22/h5-6,8,10-11,15,23H,3-4,7,9H2,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087355 (3-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES COC(=O)c1ccc(C)c(CCCn2cnc3C(O)CNC=Nc23)c1 |c:21| Show InChI InChI=1S/C18H22N4O3/c1-12-5-6-14(18(24)25-2)8-13(12)4-3-7-22-11-21-16-15(23)9-19-10-20-17(16)22/h5-6,8,10-11,15,23H,3-4,7,9H2,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50193861 (5-chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(N,N-dimet...) Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C22H19Cl2N5O2/c1-29(2)20(25)13-3-5-14(6-4-13)21(30)27-18-9-7-15(23)11-17(18)22(31)28-19-10-8-16(24)12-26-19/h3-12,25H,1-2H3,(H,27,30)(H,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Binding affinity to human ERG				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087346 (3-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES COC(=O)c1ccc(OC)c(CCCn2cnc3C(O)CNC=Nc23)c1 |c:22| Show InChI InChI=1S/C18H22N4O4/c1-25-15-6-5-13(18(24)26-2)8-12(15)4-3-7-22-11-21-16-14(23)9-19-10-20-17(16)22/h5-6,8,10-11,14,23H,3-4,7,9H2,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087373 (3-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES COC(=O)c1cccc(CCCn2cnc3C(O)CNC=Nc23)c1 |c:20| Show InChI InChI=1S/C17H20N4O3/c1-24-17(23)13-6-2-4-12(8-13)5-3-7-21-11-20-15-14(22)9-18-10-19-16(15)21/h2,4,6,8,10-11,14,22H,3,5,7,9H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087351 (2-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES COC(=O)c1ccccc1CCCn1cnc2C(O)CNC=Nc12 |c:22| Show InChI InChI=1S/C17H20N4O3/c1-24-17(23)13-7-3-2-5-12(13)6-4-8-21-11-20-15-14(22)9-18-10-19-16(15)21/h2-3,5,7,10-11,14,22H,4,6,8-9H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087358 (1-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES COC(=O)c1ccc2ccccc2c1CCCn1cnc2C(O)CNC=Nc12 |c:27| Show InChI InChI=1S/C21H22N4O3/c1-28-21(27)17-9-8-14-5-2-3-6-15(14)16(17)7-4-10-25-13-24-19-18(26)11-22-12-23-20(19)25/h2-3,5-6,8-9,12-13,18,26H,4,7,10-11H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50193849 (CHEMBL219106 | N-(2-(5-chloropyridin-2-ylcarbamoyl...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2N2CCCCC2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C28H31ClN6O3/c1-34(2)26(30)18-7-10-21(24(15-18)35-13-5-4-6-14-35)27(36)32-23-11-9-20(38-3)16-22(23)28(37)33-25-12-8-19(29)17-31-25/h7-12,15-17,30H,4-6,13-14H2,1-3H3,(H,32,36)(H,31,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Binding affinity to human ERG				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087381 (2-Fluoro-6-[3-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...) Show SMILES COC(=O)c1c(F)cccc1CCCn1cnc2C(O)CNC=Nc12 |c:23| Show InChI InChI=1S/C17H19FN4O3/c1-25-17(24)14-11(4-2-6-12(14)18)5-3-7-22-10-21-15-13(23)8-19-9-20-16(15)22/h2,4,6,9-10,13,23H,3,5,7-8H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50249120 (CHEMBL472967 | N-(4-chloro-2-(5-chloropyridin-2-yl...) Show SMILES CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1 Show InChI InChI=1S/C22H18Cl2FN5O2/c1-30(2)20(26)12-3-6-15(17(25)9-12)21(31)28-18-7-4-13(23)10-16(18)22(32)29-19-8-5-14(24)11-27-19/h3-11,26H,1-2H3,(H,28,31)(H,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Binding affinity to human ERG				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087343 (CHEMBL37750 | Sodium; 3-[3-(8-hydroxy-7,8-dihydro-...) Show SMILES Cc1ccc(cc1CCCn1cnc2C(O)CNC=Nc12)C([O-])=O |c:19| Show InChI InChI=1S/C17H20N4O3/c1-11-4-5-13(17(23)24)7-12(11)3-2-6-21-10-20-15-14(22)8-18-9-19-16(15)21/h4-5,7,9-10,14,22H,2-3,6,8H2,1H3,(H,18,19)(H,23,24)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087397 (3-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCc1ccsc1C(O)=O |c:4| Show InChI InChI=1S/C14H16N4O3S/c19-10-6-15-7-16-13-11(10)17-8-18(13)4-1-2-9-3-5-22-12(9)14(20)21/h3,5,7-8,10,19H,1-2,4,6H2,(H,15,16)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50249298 (BEVYXXA | CHEMBL512351 | N-(5-chloropyridin-2-yl)-...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Binding affinity to human ERG				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087393 (1-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCc1c(ccc2ccccc12)C(O)=O |c:4| Show InChI InChI=1S/C20H20N4O3/c25-17-10-21-11-22-19-18(17)23-12-24(19)9-3-6-15-14-5-2-1-4-13(14)7-8-16(15)20(26)27/h1-2,4-5,7-8,11-12,17,25H,3,6,9-10H2,(H,21,22)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50249423 (CHEMBL515919 | N-(2-(5-chloropyridin-2-ylcarbamoyl...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2F)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C23H21ClFN5O3/c1-30(2)21(26)13-4-7-16(18(25)10-13)22(31)28-19-8-6-15(33-3)11-17(19)23(32)29-20-9-5-14(24)12-27-20/h4-12,26H,1-3H3,(H,28,31)(H,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Binding affinity to human ERG				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087375 (CHEMBL285253 | Sodium; 3-[3-(8-hydroxy-7,8-dihydro...) Show SMILES OC1CNC=Nc2c1ncn2CC#Cc1cccc(c1)C([O-])=O |c:4| Show InChI InChI=1S/C16H14N4O3/c21-13-8-17-9-18-15-14(13)19-10-20(15)6-2-4-11-3-1-5-12(7-11)16(22)23/h1,3,5,7,9-10,13,21H,6,8H2,(H,17,18)(H,22,23)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087384 (2-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES COC(=O)c1ccccc1OCCn1cnc2C(O)CNC=Nc12 |c:22| Show InChI InChI=1S/C16H18N4O4/c1-23-16(22)11-4-2-3-5-13(11)24-7-6-20-10-19-14-12(21)8-17-9-18-15(14)20/h2-5,9-10,12,21H,6-8H2,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087383 (CHEMBL431512 | Sodium; 3-[3-(8-hydroxy-7,8-dihydro...) Show SMILES OC1CNC=Nc2c1ncn2CCCc1cccc(c1)C([O-])=O |c:4| Show InChI InChI=1S/C16H18N4O3/c21-13-8-17-9-18-15-14(13)19-10-20(15)6-2-4-11-3-1-5-12(7-11)16(22)23/h1,3,5,7,9-10,13,21H,2,4,6,8H2,(H,17,18)(H,22,23)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087398 (3-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES Cc1ccc(cc1CCn1cnc2C(O)CNC=Nc12)C(=O)OCc1ccccc1 |c:18| Show InChI InChI=1S/C23H24N4O3/c1-16-7-8-19(23(29)30-13-17-5-3-2-4-6-17)11-18(16)9-10-27-15-26-21-20(28)12-24-14-25-22(21)27/h2-8,11,14-15,20,28H,9-10,12-13H2,1H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087353 (CHEMBL36385 | ij5-(8-Hydroxy-7,8-dihydro-6H-imidaz...) Show SMILES OC1CNC=Nc2c1ncn2Cc1ccc(o1)C(O)=O |c:4| Show InChI InChI=1S/C12H12N4O4/c17-8-3-13-5-14-11-10(8)15-6-16(11)4-7-1-2-9(20-7)12(18)19/h1-2,5-6,8,17H,3-4H2,(H,13,14)(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087387 (3-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CCCc1ccc(cc1CCn1cnc2C(O)CNC=Nc12)C(=O)OC |c:20| Show InChI InChI=1S/C19H24N4O3/c1-3-4-13-5-6-15(19(25)26-2)9-14(13)7-8-23-12-22-17-16(24)10-20-11-21-18(17)23/h5-6,9,11-12,16,24H,3-4,7-8,10H2,1-2H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087391 (2-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES Cc1ccc(C(O)=O)c(CCCn2cnc3C(O)CNC=Nc23)c1 |c:20| Show InChI InChI=1S/C17H20N4O3/c1-11-4-5-13(17(23)24)12(7-11)3-2-6-21-10-20-15-14(22)8-18-9-19-16(15)21/h4-5,7,9-10,14,22H,2-3,6,8H2,1H3,(H,18,19)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087392 (CHEMBL37090 | [3-(8-Hydroxy-7,8-dihydro-6H-imidazo...) Show SMILES CCOC(=O)Cc1cccc(Cn2cnc3C(O)CNC=Nc23)c1 |c:20| Show InChI InChI=1S/C17H20N4O3/c1-2-24-15(23)7-12-4-3-5-13(6-12)9-21-11-20-16-14(22)8-18-10-19-17(16)21/h3-6,10-11,14,22H,2,7-9H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087337 (3-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES COc1ccc(cc1CCCn1cnc2C(O)CNC=Nc12)C(O)=O |c:20| Show InChI InChI=1S/C17H20N4O4/c1-25-14-5-4-12(17(23)24)7-11(14)3-2-6-21-10-20-15-13(22)8-18-9-19-16(15)21/h4-5,7,9-10,13,22H,2-3,6,8H2,1H3,(H,18,19)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087371 (CHEMBL39430 | Sodium; 2-[3-(8-hydroxy-7,8-dihydro-...) Show SMILES OC1CNC=Nc2c1ncn2CCCc1ccccc1C([O-])=O |c:4| Show InChI InChI=1S/C16H18N4O3/c21-13-8-17-9-18-15-14(13)19-10-20(15)7-3-5-11-4-1-2-6-12(11)16(22)23/h1-2,4,6,9-10,13,21H,3,5,7-8H2,(H,17,18)(H,22,23)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087380 (CHEMBL36699 | [4-(8-Hydroxy-7,8-dihydro-6H-imidazo...) Show SMILES COC(=O)Cc1ccc(Cn2cnc3C(O)CNC=Nc23)cc1 |c:18| Show InChI InChI=1S/C16H18N4O3/c1-23-14(22)6-11-2-4-12(5-3-11)8-20-10-19-15-13(21)7-17-9-18-16(15)20/h2-5,9-10,13,21H,6-8H2,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087389 (3-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CCOC(=O)c1ccc(C)c(CCn2cnc3C(O)CNC=Nc23)c1 |c:21| Show InChI InChI=1S/C18H22N4O3/c1-3-25-18(24)14-5-4-12(2)13(8-14)6-7-22-11-21-16-15(23)9-19-10-20-17(16)22/h4-5,8,10-11,15,23H,3,6-7,9H2,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087390 (2-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CC(C)c1cccc(C(O)=O)c1CCCn1cnc2C(O)CNC=Nc12 |c:24| Show InChI InChI=1S/C19H24N4O3/c1-12(2)13-5-3-6-15(19(25)26)14(13)7-4-8-23-11-22-17-16(24)9-20-10-21-18(17)23/h3,5-6,10-12,16,24H,4,7-9H2,1-2H3,(H,20,21)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087339 (4'-Fluoro-5-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4...) Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(cc(c1)-c1ccc(F)cc1)C(O)=O |c:4| Show InChI InChI=1S/C21H19FN4O3/c22-17-3-1-14(2-4-17)15-7-13(8-16(9-15)21(28)29)5-6-26-12-25-19-18(27)10-23-11-24-20(19)26/h1-4,7-9,11-12,18,27H,5-6,10H2,(H,23,24)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087362 (3-Bromo-5-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...) Show SMILES CCOC(=O)c1cc(Br)cc(CCn2cnc3C(O)CNC=Nc23)c1 |c:21| Show InChI InChI=1S/C17H19BrN4O3/c1-2-25-17(24)12-5-11(6-13(18)7-12)3-4-22-10-21-15-14(23)8-19-9-20-16(15)22/h5-7,9-10,14,23H,2-4,8H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087347 (2-Chloro-5-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...) Show SMILES OC1CNC=Nc2c1ncn2CCc1ccc(Cl)c(c1)C(O)=O |c:4| Show InChI InChI=1S/C15H15ClN4O3/c16-11-2-1-9(5-10(11)15(22)23)3-4-20-8-19-13-12(21)6-17-7-18-14(13)20/h1-2,5,7-8,12,21H,3-4,6H2,(H,17,18)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087338 (3-Bromo-5-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...) Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(Br)cc(c1)C(O)=O |c:4| Show InChI InChI=1S/C15H15BrN4O3/c16-11-4-9(3-10(5-11)15(22)23)1-2-20-8-19-13-12(21)6-17-7-18-14(13)20/h3-5,7-8,12,21H,1-2,6H2,(H,17,18)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087388 (5-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES Cc1ccc(CCn2cnc3C(O)CNC=Nc23)cc1C(O)=O |c:15| Show InChI InChI=1S/C16H18N4O3/c1-10-2-3-11(6-12(10)16(22)23)4-5-20-9-19-14-13(21)7-17-8-18-15(14)20/h2-3,6,8-9,13,21H,4-5,7H2,1H3,(H,17,18)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087341 (5-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCc1ccc(o1)C(O)=O |c:4| Show InChI InChI=1S/C14H16N4O4/c19-10-6-15-7-16-13-12(10)17-8-18(13)5-1-2-9-3-4-11(22-9)14(20)21/h3-4,7-8,10,19H,1-2,5-6H2,(H,15,16)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087385 (5-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(cc(c1)-c1ccccc1)C(O)=O |c:4| Show InChI InChI=1S/C21H20N4O3/c26-18-11-22-12-23-20-19(18)24-13-25(20)7-6-14-8-16(10-17(9-14)21(27)28)15-4-2-1-3-5-15/h1-5,8-10,12-13,18,26H,6-7,11H2,(H,22,23)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087345 (3-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CCCc1ccc(cc1CCn1cnc2C(O)CNC=Nc12)C(O)=O |c:20| Show InChI InChI=1S/C18H22N4O3/c1-2-3-12-4-5-14(18(24)25)8-13(12)6-7-22-11-21-16-15(23)9-19-10-20-17(16)22/h4-5,8,10-11,15,23H,2-3,6-7,9H2,1H3,(H,19,20)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087366 (CHEMBL287891 | Sodium; 4-(8-hydroxy-7,8-dihydro-6H...) Show SMILES OC1CNC=Nc2c1ncn2Cc1ccc(cc1)C([O-])=O |c:4| Show InChI InChI=1S/C14H14N4O3/c19-11-5-15-7-16-13-12(11)17-8-18(13)6-9-1-3-10(4-2-9)14(20)21/h1-4,7-8,11,19H,5-6H2,(H,15,16)(H,20,21)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087386 (3-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES COC(=O)c1ccc(OC)c(CCn2cnc3C(O)CNC=Nc23)c1 |c:21| Show InChI InChI=1S/C17H20N4O4/c1-24-14-4-3-12(17(23)25-2)7-11(14)5-6-21-10-20-15-13(22)8-18-9-19-16(15)21/h3-4,7,9-10,13,22H,5-6,8H2,1-2H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087357 (5-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCc1ccc(s1)C(O)=O |c:4| Show InChI InChI=1S/C13H14N4O3S/c18-9-5-14-6-15-12-11(9)16-7-17(12)4-3-8-1-2-10(21-8)13(19)20/h1-2,6-7,9,18H,3-5H2,(H,14,15)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087359 (3-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES COC(=O)c1cccc(CCn2cnc3C(O)CNC=Nc23)c1 |c:19| Show InChI InChI=1S/C16H18N4O3/c1-23-16(22)12-4-2-3-11(7-12)5-6-20-10-19-14-13(21)8-17-9-18-15(14)20/h2-4,7,9-10,13,21H,5-6,8H2,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087374 (5-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)ccc1C |c:18| Show InChI InChI=1S/C18H22N4O3/c1-3-25-18(24)14-8-13(5-4-12(14)2)6-7-22-11-21-16-15(23)9-19-10-20-17(16)22/h4-5,8,10-11,15,23H,3,6-7,9H2,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair

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