Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'kruse' and Initial = 'li'   

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
7-dehydrocholesterol reductase (Rattus norvegicus)	BDBM50406621 (CHEMBL9820) Show SMILES C[C@H](CC[S+](C)C(C)C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15| Show InChI InChI=1S/C27H47OS/c1-18(2)29(6)16-13-19(3)23-9-10-24-22-8-7-20-17-21(28)11-14-26(20,4)25(22)12-15-27(23,24)5/h7,18-19,21-25,28H,8-17H2,1-6H3/q+1/t19-,21+,22?,23?,24?,25?,26+,27-,29?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Delta-(24)-sterol reductase				J Med Chem 35: 100-6 (1992) BindingDB Entry DOI: 10.7270/Q2C82BHD
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014978 (1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-imid...) Show SMILES Oc1c(F)cc(Cn2cc[nH]c2=S)cc1F Show InChI InChI=1S/C10H8F2N2OS/c11-7-3-6(4-8(12)9(7)15)5-14-2-1-13-10(14)16/h1-4,15H,5H2,(H,13,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Dopamine beta hydroxylase using tyramine substrate at pH 4.5 in the absence of fumarate				J Med Chem 29: 887-9 (1986) BindingDB Entry DOI: 10.7270/Q2JH3K55
					More data for this Ligand-Target Pair
7-dehydrocholesterol reductase (Rattus norvegicus)	BDBM50406617 (CHEMBL276388) Show SMILES C[C@H](CCC(N)=N)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3 |r,c:12| Show InChI InChI=1S/C27H46N2O/c1-17(7-10-23(28)29)18-11-15-27(6)20-8-9-21-24(2,3)22(30)13-14-25(21,4)19(20)12-16-26(18,27)5/h17-18,21-22,30H,7-16H2,1-6H3,(H3,28,29)/t17-,18?,21?,22+,25-,26-,27+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Delta-(24)-sterol reductase				J Med Chem 35: 100-6 (1992) BindingDB Entry DOI: 10.7270/Q2C82BHD
					More data for this Ligand-Target Pair
7-dehydrocholesterol reductase (Rattus norvegicus)	BDBM50406618 (CHEMBL9875) Show SMILES [#6]-[#6@H](-[#6]-[#6]\[#6](-[#7])=[#7+](/[#6])-[#6])-[#6]1-[#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[#6]1-[#6]-[#6]-3 |c:14| Show InChI InChI=1S/C29H50N2O/c1-19(9-12-25(30)31(7)8)20-13-17-29(6)22-10-11-23-26(2,3)24(32)15-16-27(23,4)21(22)14-18-28(20,29)5/h19-20,23-24,30,32H,9-18H2,1-8H3/p+1/t19-,20?,23?,24+,27-,28-,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for the inhibition of delta24-sterol reductase				J Med Chem 35: 100-6 (1992) BindingDB Entry DOI: 10.7270/Q2C82BHD
					More data for this Ligand-Target Pair
7-dehydrocholesterol reductase (Rattus norvegicus)	BDBM50406620 (CHEMBL9864) Show SMILES C[C@H](CCc1ncc[nH]1)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3 |c:15| Show InChI InChI=1S/C29H46N2O/c1-19(7-10-25-30-17-18-31-25)20-11-15-29(6)22-8-9-23-26(2,3)24(32)13-14-27(23,4)21(22)12-16-28(20,29)5/h17-20,23-24,32H,7-16H2,1-6H3,(H,30,31)/t19-,20?,23?,24+,27-,28-,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for the inhibition of delta24-sterol reductase				J Med Chem 35: 100-6 (1992) BindingDB Entry DOI: 10.7270/Q2C82BHD
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014983 (1-(3,5-Difluoro-benzyl)-1,3-dihydro-imidazole-2-th...) Show SMILES Fc1cc(F)cc(Cn2cc[nH]c2=S)c1 Show InChI InChI=1S/C10H8F2N2S/c11-8-3-7(4-9(12)5-8)6-14-2-1-13-10(14)15/h1-5H,6H2,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Dopamine beta hydroxylase using tyramine substrate at pH 4.5 in the absence of fumarate				J Med Chem 29: 887-9 (1986) BindingDB Entry DOI: 10.7270/Q2JH3K55
					More data for this Ligand-Target Pair
7-dehydrocholesterol reductase (Rattus norvegicus)	BDBM50406616 (CHEMBL268041) Show SMILES C[C@H](CCc1nccn1C)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3 |c:16| Show InChI InChI=1S/C30H48N2O/c1-20(8-11-26-31-18-19-32(26)7)21-12-16-30(6)23-9-10-24-27(2,3)25(33)14-15-28(24,4)22(23)13-17-29(21,30)5/h18-21,24-25,33H,8-17H2,1-7H3/t20-,21?,24?,25+,28-,29-,30+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for the inhibition of delta24-sterol reductase				J Med Chem 35: 100-6 (1992) BindingDB Entry DOI: 10.7270/Q2C82BHD
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014968 (1-(4-Hydroxy-benzyl)-1,3-dihydro-imidazole-2-thion...) Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1 Show InChI InChI=1S/C10H10N2OS/c13-9-3-1-8(2-4-9)7-12-6-5-11-10(12)14/h1-6,13H,7H2,(H,11,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5				J Med Chem 29: 2465-72 (1987) BindingDB Entry DOI: 10.7270/Q2BR8R5P
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014968 (1-(4-Hydroxy-benzyl)-1,3-dihydro-imidazole-2-thion...) Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1 Show InChI InChI=1S/C10H10N2OS/c13-9-3-1-8(2-4-9)7-12-6-5-11-10(12)14/h1-6,13H,7H2,(H,11,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Dopamine beta hydroxylase using tyramine substrate at pH 4.5 in the absence of fumarate				J Med Chem 29: 887-9 (1986) BindingDB Entry DOI: 10.7270/Q2JH3K55
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50000439 (5-Butyl-pyridine-2-carboxylic acid | 5-Butyl-pyrid...) Show SMILES CCCCc1ccc(nc1)C(O)=O Show InChI InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5				J Med Chem 29: 2465-72 (1987) BindingDB Entry DOI: 10.7270/Q2BR8R5P
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50000439 (5-Butyl-pyridine-2-carboxylic acid | 5-Butyl-pyrid...) Show SMILES CCCCc1ccc(nc1)C(O)=O Show InChI InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Dopamine beta hydroxylase using tyramine substrate at pH 4.5 in the absence of fumarate				J Med Chem 29: 887-9 (1986) BindingDB Entry DOI: 10.7270/Q2JH3K55
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50036210 ((2S,3S)-3-Carboxy-2,3-dihydroxy-pentanedioic acid ...) Show SMILES O[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)/t3-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Reversible binding potential for rat ATP-Citrate Lyase as carbon-carbon bond cleavage activity in citrate substrate				J Med Chem 38: 537-43 (1995) BindingDB Entry DOI: 10.7270/Q21Z43GM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014968 (1-(4-Hydroxy-benzyl)-1,3-dihydro-imidazole-2-thion...) Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1 Show InChI InChI=1S/C10H10N2OS/c13-9-3-1-8(2-4-9)7-12-6-5-11-10(12)14/h1-6,13H,7H2,(H,11,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	344	n/a	n/a	n/a	n/a	n/a	n/a	6.6	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 6.6				J Med Chem 29: 2465-72 (1987) BindingDB Entry DOI: 10.7270/Q2BR8R5P
					More data for this Ligand-Target Pair
7-dehydrocholesterol reductase (Rattus norvegicus)	BDBM50406619 (CHEMBL9808) Show SMILES CC(C)SCC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:14| Show InChI InChI=1S/C26H44OS/c1-17(2)28-15-12-18(3)22-8-9-23-21-7-6-19-16-20(27)10-13-25(19,4)24(21)11-14-26(22,23)5/h6,17-18,20-24,27H,7-16H2,1-5H3/t18-,20+,21?,22?,23?,24?,25+,26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Delta-(24)-sterol reductase				J Med Chem 35: 100-6 (1992) BindingDB Entry DOI: 10.7270/Q2C82BHD
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50036215 ((2S,3R)-2-Carboxymethyl-oxirane-2,3-dicarboxylic a...) Show SMILES OC(=O)C[C@@]1(O[C@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C6H6O7/c7-2(8)1-6(5(11)12)3(13-6)4(9)10/h3H,1H2,(H,7,8)(H,9,10)(H,11,12)/t3-,6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Reversible binding potential for rat ATP-Citrate Lyase as carbon-carbon bond cleavage activity in citrate substrate				J Med Chem 38: 537-43 (1995) BindingDB Entry DOI: 10.7270/Q21Z43GM
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50036214 ((2R,3R)-3-Carboxy-2-chloro-3-hydroxy-pentanedioic ...) Show SMILES OC(=O)C[C@](O)([C@@H](Cl)C(O)=O)C(O)=O Show InChI InChI=1S/C6H7ClO7/c7-3(4(10)11)6(14,5(12)13)1-2(8)9/h3,14H,1H2,(H,8,9)(H,10,11)(H,12,13)/t3-,6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Reversible binding potential for rat ATP-Citrate Lyase as carbon-carbon bond cleavage activity in citrate substrate				J Med Chem 38: 537-43 (1995) BindingDB Entry DOI: 10.7270/Q21Z43GM
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50036217 ((2S,3R)-3-Carboxy-3-hydroxy-2-methylsulfanyl-penta...) Show SMILES CS[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C7H10O7S/c1-15-4(5(10)11)7(14,6(12)13)2-3(8)9/h4,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t4-,7+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Reversible binding potential for rat ATP-Citrate Lyase as carbon-carbon bond cleavage activity in citrate substrate				J Med Chem 38: 537-43 (1995) BindingDB Entry DOI: 10.7270/Q21Z43GM
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50023370 (2-Thiophen-2-yl-allylamine | CHEMBL110604) Show SMILES NCC(=C)c1cccs1 Show InChI InChI=1S/C7H9NS/c1-6(5-8)7-3-2-4-9-7/h2-4H,1,5,8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description KI value was determined from plots of 1/kinact(observed) vs 1/[inhibitor]				J Med Chem 31: 704-6 (1988) BindingDB Entry DOI: 10.7270/Q26972KP
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Cn1cc[nH]c1=S Show InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 6.6				J Med Chem 29: 2465-72 (1987) BindingDB Entry DOI: 10.7270/Q2BR8R5P
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50017834 (4-(1-Aminomethyl-prop-2-ynyl)-phenol | CHEMBL16312...) Show SMILES NCC(C#C)c1ccc(O)cc1 Show InChI InChI=1S/C10H11NO/c1-2-8(7-11)9-3-5-10(12)6-4-9/h1,3-6,8,12H,7,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description KI value was determined from plots of 1/kinact(observed) vs 1/[inhibitor]				J Med Chem 31: 704-6 (1988) BindingDB Entry DOI: 10.7270/Q26972KP
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50017834 (4-(1-Aminomethyl-prop-2-ynyl)-phenol | CHEMBL16312...) Show SMILES NCC(C#C)c1ccc(O)cc1 Show InChI InChI=1S/C10H11NO/c1-2-8(7-11)9-3-5-10(12)6-4-9/h1,3-6,8,12H,7,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description KI value was determined from plots of 1/kinact(observed) vs 1/[inhibitor]				J Med Chem 31: 704-6 (1988) BindingDB Entry DOI: 10.7270/Q26972KP
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50036219 ((2S,3R)-3-Carboxy-3-hydroxy-2-mercapto-pentanedioi...) Show SMILES OC(=O)C[C@](O)([C@H](S)C(O)=O)C(O)=O Show InChI InChI=1S/C6H8O7S/c7-2(8)1-6(13,5(11)12)3(14)4(9)10/h3,13-14H,1H2,(H,7,8)(H,9,10)(H,11,12)/t3-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Reversible binding potential for rat ATP-Citrate Lyase as carbon-carbon bond cleavage activity in citrate substrate				J Med Chem 38: 537-43 (1995) BindingDB Entry DOI: 10.7270/Q21Z43GM
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50036221 ((2R,3R)-3-Carboxy-3-hydroxy-2-mercapto-pentanedioi...) Show SMILES OC(=O)C[C@](O)([C@@H](S)C(O)=O)C(O)=O Show InChI InChI=1S/C6H8O7S/c7-2(8)1-6(13,5(11)12)3(14)4(9)10/h3,13-14H,1H2,(H,7,8)(H,9,10)(H,11,12)/t3-,6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Reversible binding potential for rat ATP-Citrate Lyase as carbon-carbon bond cleavage activity in citrate substrate				J Med Chem 38: 537-43 (1995) BindingDB Entry DOI: 10.7270/Q21Z43GM
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50036218 (3-Carboxy-3-mercapto-pentanedioic acid | CHEMBL151...) Show SMILES OC(=O)CC(S)(CC(O)=O)C(O)=O Show InChI InChI=1S/C6H8O6S/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.95E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Reversible binding potential for rat ATP-Citrate Lyase as carbon-carbon bond cleavage activity in citrate substrate				J Med Chem 38: 537-43 (1995) BindingDB Entry DOI: 10.7270/Q21Z43GM
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50036213 ((R)-2-((R)-Carboxy-chloro-methyl)-4-oxo-oxetane-2-...) Show SMILES OC(=O)[C@H](Cl)[C@@]1(CC(=O)O1)C(O)=O Show InChI InChI=1S/C6H5ClO6/c7-3(4(9)10)6(5(11)12)1-2(8)13-6/h3H,1H2,(H,9,10)(H,11,12)/t3-,6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Reversible binding potential for rat ATP-Citrate Lyase as carbon-carbon bond cleavage activity in citrate substrate				J Med Chem 38: 537-43 (1995) BindingDB Entry DOI: 10.7270/Q21Z43GM
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50036220 ((2S,3S)-2-Carboxymethyl-oxirane-2,3-dicarboxylic a...) Show SMILES OC(=O)C[C@@]1(O[C@@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C6H6O7/c7-2(8)1-6(5(11)12)3(13-6)4(9)10/h3H,1H2,(H,7,8)(H,9,10)(H,11,12)/t3-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Reversible binding potential for rat ATP-Citrate Lyase as carbon-carbon bond cleavage activity in citrate substrate				J Med Chem 38: 537-43 (1995) BindingDB Entry DOI: 10.7270/Q21Z43GM
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50036211 (3-Carboxy-3-methyldisulfanyl-pentanedioic acid | C...) Show SMILES CSSC(CC(O)=O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C7H10O6S2/c1-14-15-7(6(12)13,2-4(8)9)3-5(10)11/h2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	4.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Reversible binding potential for rat ATP-Citrate Lyase as carbon-carbon bond cleavage activity in citrate substrate				J Med Chem 38: 537-43 (1995) BindingDB Entry DOI: 10.7270/Q21Z43GM
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50017827 (4-(1-Aminomethyl-vinyl)-phenol | CHEMBL330118) Show SMILES NCC(=C)c1ccc(O)cc1 Show InChI InChI=1S/C9H11NO/c1-7(6-10)8-2-4-9(11)5-3-8/h2-5,11H,1,6,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description KI value was determined from plots of 1/kinact(observed) vs 1/[inhibitor]; Apparent values at pH 5.0, 0.24 mM O2				J Med Chem 31: 704-6 (1988) BindingDB Entry DOI: 10.7270/Q26972KP
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Cn1cc[nH]c1=S Show InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	7.16E+5	n/a	n/a	n/a	n/a	n/a	n/a	6.6	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5				J Med Chem 29: 2465-72 (1987) BindingDB Entry DOI: 10.7270/Q2BR8R5P
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50036212 ((1E)-1-propene-1,2,3-tricarboxylic acid | (1E)-pro...) Show SMILES OC(=O)C\C(=C/C(O)=O)C(O)=O Show InChI InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Reversible binding potential for rat ATP-Citrate Lyase as carbon-carbon bond cleavage activity in citrate substrate				J Med Chem 38: 537-43 (1995) BindingDB Entry DOI: 10.7270/Q21Z43GM
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50036222 ((1Z)-prop-1-ene-1,2,3-tricarboxylic acid | (Z)-1-p...) Show SMILES OC(=O)C\C(=C\C(O)=O)C(O)=O Show InChI InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Reversible binding potential for rat ATP-Citrate Lyase as carbon-carbon bond cleavage activity in citrate substrate				J Med Chem 38: 537-43 (1995) BindingDB Entry DOI: 10.7270/Q21Z43GM
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50036216 (2-methylenesuccinic acid | 2-methylidenebutanedioi...) Show SMILES OC(=O)CC(=C)C(O)=O Show InChI InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Reversible binding potential for rat ATP-Citrate Lyase as carbon-carbon bond cleavage activity in citrate substrate				J Med Chem 38: 537-43 (1995) BindingDB Entry DOI: 10.7270/Q21Z43GM
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50023371 (4-Cyclopropylmethyl-phenol | CHEMBL162030) Show SMILES Oc1ccc(CC2CC2)cc1 Show InChI InChI=1S/C10H12O/c11-10-5-3-9(4-6-10)7-8-1-2-8/h3-6,8,11H,1-2,7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description KI value was determined from plots of 1/kinact(observed) vs 1/[inhibitor]				J Med Chem 31: 704-6 (1988) BindingDB Entry DOI: 10.7270/Q26972KP
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014970 (4-(3,5-Difluoro-4-hydroxy-benzyl)-2,4-dihydro-[1,2...) Show SMILES Oc1c(F)cc(Cn2cn[nH]c2=S)cc1F Show InChI InChI=1S/C9H7F2N3OS/c10-6-1-5(2-7(11)8(6)15)3-14-4-12-13-9(14)16/h1-2,4,15H,3H2,(H,13,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)				J Med Chem 33: 781-9 (1990) BindingDB Entry DOI: 10.7270/Q2DZ078G
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014978 (1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-imid...) Show SMILES Oc1c(F)cc(Cn2cc[nH]c2=S)cc1F Show InChI InChI=1S/C10H8F2N2OS/c11-7-3-6(4-8(12)9(7)15)5-14-2-1-13-10(14)16/h1-4,15H,5H2,(H,13,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (0.060-0.0877).				J Med Chem 30: 486-94 (1987) BindingDB Entry DOI: 10.7270/Q2FJ2FSM
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014978 (1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-imid...) Show SMILES Oc1c(F)cc(Cn2cc[nH]c2=S)cc1F Show InChI InChI=1S/C10H8F2N2OS/c11-7-3-6(4-8(12)9(7)15)5-14-2-1-13-10(14)16/h1-4,15H,5H2,(H,13,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)				J Med Chem 33: 781-9 (1990) BindingDB Entry DOI: 10.7270/Q2DZ078G
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014963 (1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-benz...) Show SMILES Oc1c(F)cc(Cn2c3ccccc3[nH]c2=S)cc1F Show InChI InChI=1S/C14H10F2N2OS/c15-9-5-8(6-10(16)13(9)19)7-18-12-4-2-1-3-11(12)17-14(18)20/h1-6,19H,7H2,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)				J Med Chem 33: 781-9 (1990) BindingDB Entry DOI: 10.7270/Q2DZ078G
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50025811 (1-(3,5-Dichloro-4-hydroxy-benzyl)-1,3-dihydro-imid...) Show SMILES Oc1c(Cl)cc(Cn2cc[nH]c2=S)cc1Cl Show InChI InChI=1S/C10H8Cl2N2OS/c11-7-3-6(4-8(12)9(7)15)5-14-2-1-13-10(14)16/h1-4,15H,5H2,(H,13,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (0.42-1.1).				J Med Chem 30: 486-94 (1987) BindingDB Entry DOI: 10.7270/Q2FJ2FSM
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Rattus norvegicus)	BDBM50000439 (5-Butyl-pyridine-2-carboxylic acid | 5-Butyl-pyrid...) Show SMILES CCCCc1ccc(nc1)C(O)=O Show InChI InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 0.4-1.1				J Med Chem 30: 1309-13 (1987) BindingDB Entry DOI: 10.7270/Q2MC8Z0M
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50020475 (CHEMBL341192 | [7-Methyl-5-(thiophene-2-carbonyl)-...) Show SMILES COC(=O)Nc1nc2c(C)cc(cc2[nH]1)C(=O)c1cccs1 Show InChI InChI=1S/C15H13N3O3S/c1-8-6-9(13(19)11-4-3-5-22-11)7-10-12(8)17-14(16-10)18-15(20)21-2/h3-7H,1-2H3,(H2,16,17,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.				J Med Chem 32: 409-17 (1989) BindingDB Entry DOI: 10.7270/Q2125RN4
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50020464 (CHEMBL135161 | [5-(2-Methoxycarbonylamino-1H-benzo...) Show SMILES CCOC(=O)Cc1csc(c1)C(=O)c1ccc2nc(NC(=O)OC)[nH]c2c1 Show InChI InChI=1S/C18H17N3O5S/c1-3-26-15(22)7-10-6-14(27-9-10)16(23)11-4-5-12-13(8-11)20-17(19-12)21-18(24)25-2/h4-6,8-9H,3,7H2,1-2H3,(H2,19,20,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.				J Med Chem 32: 409-17 (1989) BindingDB Entry DOI: 10.7270/Q2125RN4
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014984 (4-(3,5-Difluoro-benzyl)-2,4-dihydro-[1,2,4]triazol...) Show SMILES Fc1cc(F)cc(Cn2cn[nH]c2=S)c1 Show InChI InChI=1S/C9H7F2N3S/c10-7-1-6(2-8(11)3-7)4-14-5-12-13-9(14)15/h1-3,5H,4H2,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)				J Med Chem 33: 781-9 (1990) BindingDB Entry DOI: 10.7270/Q2DZ078G
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014983 (1-(3,5-Difluoro-benzyl)-1,3-dihydro-imidazole-2-th...) Show SMILES Fc1cc(F)cc(Cn2cc[nH]c2=S)c1 Show InChI InChI=1S/C10H8F2N2S/c11-8-3-7(4-9(12)5-8)6-14-2-1-13-10(14)15/h1-5H,6H2,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)				J Med Chem 33: 781-9 (1990) BindingDB Entry DOI: 10.7270/Q2DZ078G
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Rattus norvegicus)	BDBM50014983 (1-(3,5-Difluoro-benzyl)-1,3-dihydro-imidazole-2-th...) Show SMILES Fc1cc(F)cc(Cn2cc[nH]c2=S)c1 Show InChI InChI=1S/C10H8F2N2S/c11-8-3-7(4-9(12)5-8)6-14-2-1-13-10(14)15/h1-5H,6H2,(H,13,15)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 1.1-1.4				J Med Chem 30: 1309-13 (1987) BindingDB Entry DOI: 10.7270/Q2MC8Z0M
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014983 (1-(3,5-Difluoro-benzyl)-1,3-dihydro-imidazole-2-th...) Show SMILES Fc1cc(F)cc(Cn2cc[nH]c2=S)c1 Show InChI InChI=1S/C10H8F2N2S/c11-8-3-7(4-9(12)5-8)6-14-2-1-13-10(14)15/h1-5H,6H2,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (1.0-1.9)				J Med Chem 30: 486-94 (1987) BindingDB Entry DOI: 10.7270/Q2FJ2FSM
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014971 (1-(3,5-Difluoro-benzyl)-imidazolidine-2-thione | C...) Show SMILES Fc1cc(F)cc(CN2CCNC2=S)c1 Show InChI InChI=1S/C10H10F2N2S/c11-8-3-7(4-9(12)5-8)6-14-2-1-13-10(14)15/h3-5H,1-2,6H2,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)				J Med Chem 33: 781-9 (1990) BindingDB Entry DOI: 10.7270/Q2DZ078G
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50025795 (1-(3-Fluoro-4-hydroxy-benzyl)-1,3-dihydro-imidazol...) Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1F Show InChI InChI=1S/C10H9FN2OS/c11-8-5-7(1-2-9(8)14)6-13-4-3-12-10(13)15/h1-5,14H,6H2,(H,12,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (0.9-2.2)				J Med Chem 30: 486-94 (1987) BindingDB Entry DOI: 10.7270/Q2FJ2FSM
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014967 (1-(3,5-Difluoro-benzyl)-1H-tetrazole-5-thiol | CHE...) Show SMILES Fc1cc(F)cc(Cn2nn[nH]c2=S)c1 Show InChI InChI=1S/C8H6F2N4S/c9-6-1-5(2-7(10)3-6)4-14-8(15)11-12-13-14/h1-3H,4H2,(H,11,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)				J Med Chem 33: 781-9 (1990) BindingDB Entry DOI: 10.7270/Q2DZ078G
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014979 (4-(3-Fluoro-benzyl)-2,4-dihydro-[1,2,4]triazole-3-...) Show SMILES Fc1cccc(Cn2cn[nH]c2=S)c1 Show InChI InChI=1S/C9H8FN3S/c10-8-3-1-2-7(4-8)5-13-6-11-12-9(13)14/h1-4,6H,5H2,(H,12,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)				J Med Chem 33: 781-9 (1990) BindingDB Entry DOI: 10.7270/Q2DZ078G
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50020463 (Benzoic acid 5-(2-methoxycarbonylamino-1H-benzoimi...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(COC(=O)c2ccccc2)cs1 Show InChI InChI=1S/C22H17N3O5S/c1-29-22(28)25-21-23-16-8-7-15(10-17(16)24-21)19(26)18-9-13(12-31-18)11-30-20(27)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H2,23,24,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.				J Med Chem 32: 409-17 (1989) BindingDB Entry DOI: 10.7270/Q2125RN4
					More data for this Ligand-Target Pair

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