Compile Data Set for Download or QSAR

Found 147 hits with Last Name = 'an' and Initial = 'xd'   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50162625 (Benzyl derivative of M6G | CHEMBL366917) Show SMILES COC1[C@H](NC(=O)CC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C |c:52| Show InChI InChI=1S/C54H60N2O8/c1-56-28-27-54-43(46(56)29-41-23-24-42(57)30-44(41)54)25-26-45(53(54)59-2)55-49(58)31-47-50(61-33-38-17-9-4-10-18-38)52(63-35-40-21-13-6-14-22-40)51(62-34-39-19-11-5-12-20-39)48(64-47)36-60-32-37-15-7-3-8-16-37/h3-26,30,43,45-48,50-53,57H,27-29,31-36H2,1-2H3,(H,55,58)/t43-,45+,46+,47?,48?,50?,51?,52?,53?,54-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DAMGO binding to recombinant human Opioid receptor mu 1				Bioorg Med Chem Lett 15: 1583-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.072 BindingDB Entry DOI: 10.7270/Q2HT2Q2W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50162622 (CHEMBL362202 | Deprotected cogener of M6G) Show SMILES COC1[C@H](NC(=O)CC2OC(CO)C(O)C(O)C2O)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C |c:20| Show InChI InChI=1S/C26H36N2O8/c1-28-8-7-26-15(18(28)9-13-3-4-14(30)10-16(13)26)5-6-17(25(26)35-2)27-21(31)11-19-22(32)24(34)23(33)20(12-29)36-19/h3-6,10,15,17-20,22-25,29-30,32-34H,7-9,11-12H2,1-2H3,(H,27,31)/t15-,17+,18+,19?,20?,22?,23?,24?,25?,26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DAMGO binding to recombinant human Opioid receptor mu 1				Bioorg Med Chem Lett 15: 1583-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.072 BindingDB Entry DOI: 10.7270/Q2HT2Q2W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50162624 (CHEMBL359644 | M6G thiosaccharide analogue) Show SMILES COC1[C@H](SC2OC(CO)C(O)C(O)C2O)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C |c:17| Show InChI InChI=1S/C24H33NO7S/c1-25-8-7-24-14(16(25)9-12-3-4-13(27)10-15(12)24)5-6-18(22(24)31-2)33-23-21(30)20(29)19(28)17(11-26)32-23/h3-6,10,14,16-23,26-30H,7-9,11H2,1-2H3/t14-,16+,17?,18+,19?,20?,21?,22?,23?,24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DAMGO binding to recombinant human Opioid receptor mu 1				Bioorg Med Chem Lett 15: 1583-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.072 BindingDB Entry DOI: 10.7270/Q2HT2Q2W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50162626 (CHEMBL359534 | M6G thiosaccharide analogue) Show SMILES COC1[C@H](SC2OC(C(O)C(O)C2O)C(O)=O)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C |c:18| Show InChI InChI=1S/C24H31NO8S/c1-25-8-7-24-13(15(25)9-11-3-4-12(26)10-14(11)24)5-6-16(21(24)32-2)34-23-19(29)17(27)18(28)20(33-23)22(30)31/h3-6,10,13,15-21,23,26-29H,7-9H2,1-2H3,(H,30,31)/t13-,15+,16+,17?,18?,19?,20?,21?,23?,24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DAMGO binding to recombinant human Opioid receptor mu 1				Bioorg Med Chem Lett 15: 1583-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.072 BindingDB Entry DOI: 10.7270/Q2HT2Q2W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50370478 (MORPHINE-6-GLUCURONIDE | Morphine 6-Glucuronide(Mi...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)ccc5O |r,c:16| Show InChI InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DAMGO binding to recombinant human Opioid receptor mu 1				Bioorg Med Chem Lett 15: 1583-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.072 BindingDB Entry DOI: 10.7270/Q2HT2Q2W
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50493380 (CHEMBL2425469) Show SMILES ONC(=O)CC(O)c1cccc(Cl)c1 Show InChI InChI=1S/C9H10ClNO3/c10-7-3-1-2-6(4-7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Mixed-type competitive inhibition of Helicobacter pylori ATCC 43504 urease using urea as substrate by Lineweaver-burk plot analysis				Eur J Med Chem 68: 212-21 (2013) Article DOI: 10.1016/j.ejmech.2013.07.047 BindingDB Entry DOI: 10.7270/Q28G8PNR
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50493373 (CHEMBL2425478) Show SMILES ONC(=O)CC(O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C9H9Cl2NO3/c10-6-3-1-2-5(9(6)11)7(13)4-8(14)12-15/h1-3,7,13,15H,4H2,(H,12,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Mixed-type competitive inhibition of Helicobacter pylori ATCC 43504 urease using urea as substrate by Lineweaver-burk plot analysis				Eur J Med Chem 68: 212-21 (2013) Article DOI: 10.1016/j.ejmech.2013.07.047 BindingDB Entry DOI: 10.7270/Q28G8PNR
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50493380 (CHEMBL2425469) Show SMILES ONC(=O)CC(O)c1cccc(Cl)c1 Show InChI InChI=1S/C9H10ClNO3/c10-7-3-1-2-6(4-7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of urease extracted from Helicobacter pylori ATCC 43504 assessed as ammonia production preincubated for 1.5 hrs by indophenol-based method				Eur J Med Chem 68: 212-21 (2013) Article DOI: 10.1016/j.ejmech.2013.07.047 BindingDB Entry DOI: 10.7270/Q28G8PNR
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50264501 (CHEMBL253715 | CHEMBL484670 | N-(5-N-Methyl-10H-in...) Show SMILES CCN(CC)CCCNc1c2[nH+]c3ccccc3c2n(C)c2ccccc12 Show InChI InChI=1S/C23H28N4/c1-4-27(5-2)16-10-15-24-21-18-12-7-9-14-20(18)26(3)23-17-11-6-8-13-19(17)25-22(21)23/h6-9,11-14,24H,4-5,10,15-16H2,1-3H3/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay				J Med Chem 51: 6381-92 (2008) Article DOI: 10.1021/jm800497p BindingDB Entry DOI: 10.7270/Q2319VQ2
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50264595 (CHEMBL491633 | N-(7-Fluoro-5-N-methyl-10H-indolo[3...) Show SMILES CCN(CC)CCCNc1c2[nH+]c3ccc(F)cc3c2n(C)c2ccccc12 Show InChI InChI=1S/C23H27FN4/c1-4-28(5-2)14-8-13-25-21-17-9-6-7-10-20(17)27(3)23-18-15-16(24)11-12-19(18)26-22(21)23/h6-7,9-12,15,25H,4-5,8,13-14H2,1-3H3/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay				J Med Chem 51: 6381-92 (2008) Article DOI: 10.1021/jm800497p BindingDB Entry DOI: 10.7270/Q2319VQ2
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50264499 (CHEMBL253508 | CHEMBL507633 | N-(5-N-Methyl-10H-in...) Show SMILES CN(C)CCCNc1c2[nH+]c3ccccc3c2n(C)c2ccccc12 Show InChI InChI=1S/C21H24N4/c1-24(2)14-8-13-22-19-16-10-5-7-12-18(16)25(3)21-15-9-4-6-11-17(15)23-20(19)21/h4-7,9-12,22H,8,13-14H2,1-3H3/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay				J Med Chem 51: 6381-92 (2008) Article DOI: 10.1021/jm800497p BindingDB Entry DOI: 10.7270/Q2319VQ2
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50493373 (CHEMBL2425478) Show SMILES ONC(=O)CC(O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C9H9Cl2NO3/c10-6-3-1-2-5(9(6)11)7(13)4-8(14)12-15/h1-3,7,13,15H,4H2,(H,12,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of urease extracted from Helicobacter pylori ATCC 43504 assessed as ammonia production preincubated for 1.5 hrs by indophenol-based method				Eur J Med Chem 68: 212-21 (2013) Article DOI: 10.1016/j.ejmech.2013.07.047 BindingDB Entry DOI: 10.7270/Q28G8PNR
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50264635 (CHEMBL490013 | N-(7,9-Difluoro-5-N-methyl-10H-indo...) Show SMILES CCN(CC)CCCNc1c2[nH+]c3c(F)cc(F)cc3c2n(C)c2ccccc12 Show InChI InChI=1S/C23H26F2N4/c1-4-29(5-2)12-8-11-26-21-16-9-6-7-10-19(16)28(3)23-17-13-15(24)14-18(25)20(17)27-22(21)23/h6-7,9-10,13-14,26H,4-5,8,11-12H2,1-3H3/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay				J Med Chem 51: 6381-92 (2008) Article DOI: 10.1021/jm800497p BindingDB Entry DOI: 10.7270/Q2319VQ2
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50264593 (11-(3-(dimethylamino)propylamino)-7-fluoro-5-methy...) Show SMILES CN(C)CCCNc1c2[nH+]c3ccc(F)cc3c2n(C)c2ccccc12 Show InChI InChI=1S/C21H23FN4/c1-25(2)12-6-11-23-19-15-7-4-5-8-18(15)26(3)21-16-13-14(22)9-10-17(16)24-20(19)21/h4-5,7-10,13,23H,6,11-12H2,1-3H3/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay				J Med Chem 51: 6381-92 (2008) Article DOI: 10.1021/jm800497p BindingDB Entry DOI: 10.7270/Q2319VQ2
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50493380 (CHEMBL2425469) Show SMILES ONC(=O)CC(O)c1cccc(Cl)c1 Show InChI InChI=1S/C9H10ClNO3/c10-7-3-1-2-6(4-7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of urease in Helicobacter pylori ATCC 43504 intact cell assessed as ammonia production preincubated for 1.5 hrs by indophenol-based method				Eur J Med Chem 68: 212-21 (2013) Article DOI: 10.1016/j.ejmech.2013.07.047 BindingDB Entry DOI: 10.7270/Q28G8PNR
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50264535 (CHEMBL482414 | N-(5-N-Methyl-benzofuro[3,2-b]quino...) Show SMILES CN(C)CCC\[NH+]=c1/c2oc3ccccc3c2n(C)c2ccccc12 Show InChI InChI=1S/C21H23N3O/c1-23(2)14-8-13-22-19-15-9-4-6-11-17(15)24(3)20-16-10-5-7-12-18(16)25-21(19)20/h4-7,9-12H,8,13-14H2,1-3H3/p+1/b22-19-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay				J Med Chem 51: 6381-92 (2008) Article DOI: 10.1021/jm800497p BindingDB Entry DOI: 10.7270/Q2319VQ2
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50493365 (CHEMBL2425479) Show SMILES ONC(=O)CC(O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C9H9Cl2NO3/c10-6-2-1-5(3-7(6)11)8(13)4-9(14)12-15/h1-3,8,13,15H,4H2,(H,12,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of urease extracted from Helicobacter pylori ATCC 43504 assessed as ammonia production preincubated for 1.5 hrs by indophenol-based method				Eur J Med Chem 68: 212-21 (2013) Article DOI: 10.1016/j.ejmech.2013.07.047 BindingDB Entry DOI: 10.7270/Q28G8PNR
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50264633 (CHEMBL489811 | N-(7,9-Difluoro-5-N-methyl-10H-indo...) Show SMILES CN(C)CCCNc1c2[nH+]c3c(F)cc(F)cc3c2n(C)c2ccccc12 Show InChI InChI=1S/C21H22F2N4/c1-26(2)10-6-9-24-19-14-7-4-5-8-17(14)27(3)21-15-11-13(22)12-16(23)18(15)25-20(19)21/h4-5,7-8,11-12,24H,6,9-10H2,1-3H3/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay				J Med Chem 51: 6381-92 (2008) Article DOI: 10.1021/jm800497p BindingDB Entry DOI: 10.7270/Q2319VQ2
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50176906 (CHEMBL219728 | N'-(10H-indolo[3,2-b]quinolin-11-yl...) Show SMILES CN(C)CCCNc1c2[nH]c3ccccc3c2nc2ccccc12 Show InChI InChI=1S/C20H22N4/c1-24(2)13-7-12-21-18-14-8-3-5-10-16(14)22-19-15-9-4-6-11-17(15)23-20(18)19/h3-6,8-11,23H,7,12-13H2,1-2H3,(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay				J Med Chem 51: 6381-92 (2008) Article DOI: 10.1021/jm800497p BindingDB Entry DOI: 10.7270/Q2319VQ2
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50075474 (CHEMBL3415352) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N Show InChI InChI=1S/C18H18N6O3S2/c1-5-6-29-18-21-14(11(9-19)16(22-18)23-24-17(20)28)10-7-12(25-2)15(27-4)13(8-10)26-3/h1,7-8H,6H2,2-4H3,(H3,20,24,28)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (157 to 852) (unknown origin) transfected in Escherichia coli BL21(DE) by fluorescence assay				J Med Chem 58: 1705-16 (2015) Article DOI: 10.1021/acs.jmedchem.5b00037 BindingDB Entry DOI: 10.7270/Q2CC12CZ
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50493373 (CHEMBL2425478) Show SMILES ONC(=O)CC(O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C9H9Cl2NO3/c10-6-3-1-2-5(9(6)11)7(13)4-8(14)12-15/h1-3,7,13,15H,4H2,(H,12,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of urease in Helicobacter pylori ATCC 43504 intact cell assessed as ammonia production preincubated for 1.5 hrs by indophenol-based method				Eur J Med Chem 68: 212-21 (2013) Article DOI: 10.1016/j.ejmech.2013.07.047 BindingDB Entry DOI: 10.7270/Q28G8PNR
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50493374 (CHEMBL2425482) Show SMILES ONC(=O)CC(O)c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C9H9Cl2NO4/c10-4-1-5(9(15)6(11)2-4)7(13)3-8(14)12-16/h1-2,7,13,15-16H,3H2,(H,12,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of urease extracted from Helicobacter pylori ATCC 43504 assessed as ammonia production preincubated for 1.5 hrs by indophenol-based method				Eur J Med Chem 68: 212-21 (2013) Article DOI: 10.1016/j.ejmech.2013.07.047 BindingDB Entry DOI: 10.7270/Q28G8PNR
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50075573 (CHEMBL3415354) Show SMILES CC(C)Cc1ccc(cc1)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N Show InChI InChI=1S/C19H20N6S2/c1-4-9-27-19-22-16(14-7-5-13(6-8-14)10-12(2)3)15(11-20)17(23-19)24-25-18(21)26/h1,5-8,12H,9-10H2,2-3H3,(H3,21,25,26)(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (157 to 852) (unknown origin) transfected in Escherichia coli BL21(DE) by fluorescence assay				J Med Chem 58: 1705-16 (2015) Article DOI: 10.1021/acs.jmedchem.5b00037 BindingDB Entry DOI: 10.7270/Q2CC12CZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50075574 (CHEMBL3415353) Show SMILES Cc1ccc(cc1)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N Show InChI InChI=1S/C16H14N6S2/c1-3-8-24-16-19-13(11-6-4-10(2)5-7-11)12(9-17)14(20-16)21-22-15(18)23/h1,4-7H,8H2,2H3,(H3,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (157 to 852) (unknown origin) transfected in Escherichia coli BL21(DE) by fluorescence assay				J Med Chem 58: 1705-16 (2015) Article DOI: 10.1021/acs.jmedchem.5b00037 BindingDB Entry DOI: 10.7270/Q2CC12CZ
					More data for this Ligand-Target Pair
3-hydroxyanthranilate 3,4-dioxygenase (Homo sapiens (Human))	BDBM50446510 (CHEMBL3110069) Show SMILES Cc1ccc(C(O)=O)c(N)[n+]1[O-] Show InChI InChI=1S/C7H8N2O3/c1-4-2-3-5(7(10)11)6(8)9(4)12/h2-3H,8H2,1H3,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of 3-HAO in human brain homogenates using [1-14C]-3-HANA as substrate assessed as [14C]-QUIN production after 1 hr by liquid scintillation...				J Med Chem 56: 9482-95 (2014) Article DOI: 10.1021/jm401249c BindingDB Entry DOI: 10.7270/Q21N82MD
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50497256 (CHEMBL3298511) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCN(CCOC4=C(C(=O)OC4)c4ccccc4F)CC3)c(F)cc2c1=O |t:20| Show InChI InChI=1S/C29H27F2N3O6/c30-21-4-2-1-3-18(21)26-25(16-40-29(26)38)39-12-11-32-7-9-33(10-8-32)24-14-23-19(13-22(24)31)27(35)20(28(36)37)15-34(23)17-5-6-17/h1-4,13-15,17H,5-12,16H2,(H,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in enzyme-mediated DNA supercoiling using relaxed pBR322 substrate incubated for 60 m...				Bioorg Med Chem 22: 3620-8 (2014) Article DOI: 10.1016/j.bmc.2014.05.018 BindingDB Entry DOI: 10.7270/Q2NV9N7J
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50493375 (CHEMBL2425465) Show SMILES ONC(=O)CC(O)c1ccccc1Cl Show InChI InChI=1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of urease extracted from Helicobacter pylori ATCC 43504 assessed as ammonia production preincubated for 1.5 hrs by indophenol-based method				Eur J Med Chem 68: 212-21 (2013) Article DOI: 10.1016/j.ejmech.2013.07.047 BindingDB Entry DOI: 10.7270/Q28G8PNR
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50493381 (CHEMBL2425471) Show SMILES ONC(=O)CC(O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C10H10F3NO3/c11-10(12,13)7-3-1-2-6(4-7)8(15)5-9(16)14-17/h1-4,8,15,17H,5H2,(H,14,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of urease extracted from Helicobacter pylori ATCC 43504 assessed as ammonia production preincubated for 1.5 hrs by indophenol-based method				Eur J Med Chem 68: 212-21 (2013) Article DOI: 10.1016/j.ejmech.2013.07.047 BindingDB Entry DOI: 10.7270/Q28G8PNR
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50493364 (CHEMBL2425480) Show SMILES ONC(=O)CC(O)c1cc(Cl)ccc1O Show InChI InChI=1S/C9H10ClNO4/c10-5-1-2-7(12)6(3-5)8(13)4-9(14)11-15/h1-3,8,12-13,15H,4H2,(H,11,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of urease extracted from Helicobacter pylori ATCC 43504 assessed as ammonia production preincubated for 1.5 hrs by indophenol-based method				Eur J Med Chem 68: 212-21 (2013) Article DOI: 10.1016/j.ejmech.2013.07.047 BindingDB Entry DOI: 10.7270/Q28G8PNR
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50493365 (CHEMBL2425479) Show SMILES ONC(=O)CC(O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C9H9Cl2NO3/c10-6-2-1-5(3-7(6)11)8(13)4-9(14)12-15/h1-3,8,13,15H,4H2,(H,12,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of urease in Helicobacter pylori ATCC 43504 intact cell assessed as ammonia production preincubated for 1.5 hrs by indophenol-based method				Eur J Med Chem 68: 212-21 (2013) Article DOI: 10.1016/j.ejmech.2013.07.047 BindingDB Entry DOI: 10.7270/Q28G8PNR
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50075575 (CHEMBL3415351) Show SMILES NC(=S)NNc1nc(SCC#C)nc(-c2ccccc2)c1C#N Show InChI InChI=1S/C15H12N6S2/c1-2-8-23-15-18-12(10-6-4-3-5-7-10)11(9-16)13(19-15)20-21-14(17)22/h1,3-7H,8H2,(H3,17,21,22)(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (157 to 852) (unknown origin) transfected in Escherichia coli BL21(DE) by fluorescence assay				J Med Chem 58: 1705-16 (2015) Article DOI: 10.1021/acs.jmedchem.5b00037 BindingDB Entry DOI: 10.7270/Q2CC12CZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50075569 (CHEMBL3415357) Show SMILES NC(=S)NNc1nc(SCC#C)nc(-c2ccc(Cl)cc2)c1C#N Show InChI InChI=1S/C15H11ClN6S2/c1-2-7-24-15-19-12(9-3-5-10(16)6-4-9)11(8-17)13(20-15)21-22-14(18)23/h1,3-6H,7H2,(H3,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (157 to 852) (unknown origin) transfected in Escherichia coli BL21(DE) by fluorescence assay				J Med Chem 58: 1705-16 (2015) Article DOI: 10.1021/acs.jmedchem.5b00037 BindingDB Entry DOI: 10.7270/Q2CC12CZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50075567 (CHEMBL3415359) Show SMILES NC(=S)NNc1nc(SCC#C)nc(-c2ccc(Br)cc2)c1C#N Show InChI InChI=1S/C15H11BrN6S2/c1-2-7-24-15-19-12(9-3-5-10(16)6-4-9)11(8-17)13(20-15)21-22-14(18)23/h1,3-6H,7H2,(H3,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (157 to 852) (unknown origin) transfected in Escherichia coli BL21(DE) by fluorescence assay				J Med Chem 58: 1705-16 (2015) Article DOI: 10.1021/acs.jmedchem.5b00037 BindingDB Entry DOI: 10.7270/Q2CC12CZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50075568 (CHEMBL3415358) Show SMILES NC(=S)NNc1nc(SCC#C)nc(-c2ccc(F)c(F)c2)c1C#N Show InChI InChI=1S/C15H10F2N6S2/c1-2-5-25-15-20-12(8-3-4-10(16)11(17)6-8)9(7-18)13(21-15)22-23-14(19)24/h1,3-4,6H,5H2,(H3,19,23,24)(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (157 to 852) (unknown origin) transfected in Escherichia coli BL21(DE) by fluorescence assay				J Med Chem 58: 1705-16 (2015) Article DOI: 10.1021/acs.jmedchem.5b00037 BindingDB Entry DOI: 10.7270/Q2CC12CZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50075571 (CHEMBL3415355) Show SMILES NC(=S)NNc1nc(SCC#C)nc(-c2ccc(F)cc2)c1C#N Show InChI InChI=1S/C15H11FN6S2/c1-2-7-24-15-19-12(9-3-5-10(16)6-4-9)11(8-17)13(20-15)21-22-14(18)23/h1,3-6H,7H2,(H3,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (157 to 852) (unknown origin) transfected in Escherichia coli BL21(DE) by fluorescence assay				J Med Chem 58: 1705-16 (2015) Article DOI: 10.1021/acs.jmedchem.5b00037 BindingDB Entry DOI: 10.7270/Q2CC12CZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50042195 (CHEMBL3360188) Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3nc4n(CCN5CCNCC5)c(=O)[nH]c4c4ncccc34)c(F)c2)c1=O Show InChI InChI=1S/C33H28F2N8O4/c34-20-5-8-22(9-6-20)42-14-2-4-24(32(42)45)30(44)38-21-7-10-26(25(35)19-21)47-31-23-3-1-11-37-27(23)28-29(40-31)43(33(46)39-28)18-17-41-15-12-36-13-16-41/h1-11,14,19,36H,12-13,15-18H2,(H,38,44)(H,39,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method				Bioorg Med Chem Lett 25: 708-16 (2015) Article DOI: 10.1016/j.bmcl.2014.11.070 BindingDB Entry DOI: 10.7270/Q21C1ZHD
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50075570 (CHEMBL3415356) Show SMILES NC(=S)NNc1nc(SCC#C)nc(-c2ccc(cc2)[N+]([O-])=O)c1C#N Show InChI InChI=1S/C15H11N7O2S2/c1-2-7-26-15-18-12(9-3-5-10(6-4-9)22(23)24)11(8-16)13(19-15)20-21-14(17)25/h1,3-6H,7H2,(H3,17,21,25)(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (157 to 852) (unknown origin) transfected in Escherichia coli BL21(DE) by fluorescence assay				J Med Chem 58: 1705-16 (2015) Article DOI: 10.1021/acs.jmedchem.5b00037 BindingDB Entry DOI: 10.7270/Q2CC12CZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50042274 (CHEMBL3360682) Show SMILES N[C@H]1CC[C@@H](CC1)n1c2c(nc(Oc3ccc(cc3)C(=O)N3CCCCC3)c3cccnc23)n(Cc2ccc(Cl)c(Cl)c2)c1=O |r,wU:4.7,wD:1.0,(7.98,-18.18,;9.01,-17.04,;10.51,-17.36,;11.55,-16.21,;11.06,-14.76,;9.56,-14.43,;8.53,-15.57,;12.09,-13.61,;11.76,-12.1,;13.09,-11.33,;13.09,-9.78,;11.75,-9.02,;11.74,-7.48,;13.07,-6.7,;14.4,-7.47,;15.73,-6.7,;15.72,-5.15,;14.37,-4.39,;13.05,-5.17,;17.05,-4.38,;17.04,-2.84,;18.39,-5.14,;18.39,-6.68,;19.72,-7.44,;21.06,-6.67,;21.05,-5.13,;19.71,-4.36,;10.42,-9.79,;9.09,-9.03,;7.76,-9.8,;7.76,-11.34,;9.09,-12.11,;10.42,-11.34,;14.24,-12.36,;15.75,-12.03,;16.78,-13.17,;16.31,-14.63,;17.34,-15.78,;18.85,-15.45,;19.88,-16.59,;19.32,-13.98,;20.82,-13.65,;18.28,-12.84,;13.62,-13.77,;14.4,-15.1,)| Show InChI InChI=1S/C34H34Cl2N6O3/c35-27-15-6-21(19-28(27)36)20-41-31-30(42(34(41)44)24-11-9-23(37)10-12-24)29-26(5-4-16-38-29)32(39-31)45-25-13-7-22(8-14-25)33(43)40-17-2-1-3-18-40/h4-8,13-16,19,23-24H,1-3,9-12,17-18,20,37H2/t23-,24-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin)				Bioorg Med Chem Lett 25: 708-16 (2015) Article DOI: 10.1016/j.bmcl.2014.11.070 BindingDB Entry DOI: 10.7270/Q21C1ZHD
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50075564 (CHEMBL3415361) Show SMILES COc1cccc(c1)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N Show InChI InChI=1S/C16H14N6OS2/c1-3-7-25-16-19-13(10-5-4-6-11(8-10)23-2)12(9-17)14(20-16)21-22-15(18)24/h1,4-6,8H,7H2,2H3,(H3,18,22,24)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (157 to 852) (unknown origin) transfected in Escherichia coli BL21(DE) by fluorescence assay				J Med Chem 58: 1705-16 (2015) Article DOI: 10.1021/acs.jmedchem.5b00037 BindingDB Entry DOI: 10.7270/Q2CC12CZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50075562 (CHEMBL3415362) Show SMILES NC(=O)NNc1nc(SCC#C)nc(-c2ccc(Cl)cc2)c1C#N Show InChI InChI=1S/C15H11ClN6OS/c1-2-7-24-15-19-12(9-3-5-10(16)6-4-9)11(8-17)13(20-15)21-22-14(18)23/h1,3-6H,7H2,(H3,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (157 to 852) (unknown origin) transfected in Escherichia coli BL21(DE) by fluorescence assay				J Med Chem 58: 1705-16 (2015) Article DOI: 10.1021/acs.jmedchem.5b00037 BindingDB Entry DOI: 10.7270/Q2CC12CZ
					More data for this Ligand-Target Pair
3-hydroxyanthranilate 3,4-dioxygenase (Rattus norvegicus)	BDBM50446510 (CHEMBL3110069) Show SMILES Cc1ccc(C(O)=O)c(N)[n+]1[O-] Show InChI InChI=1S/C7H8N2O3/c1-4-2-3-5(7(10)11)6(8)9(4)12/h2-3H,8H2,1H3,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of 3-HAO in Sprague-Dawley rat brain homogenates using [1-14C]-3-HANA as substrate assessed as [14C]-QUIN production after 1 hr by liquid ...				J Med Chem 56: 9482-95 (2014) Article DOI: 10.1021/jm401249c BindingDB Entry DOI: 10.7270/Q21N82MD
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50497254 (CHEMBL3298605) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCN(CCOC4=C(C(=O)OC4)c4ccc(F)cc4)CC3)c(F)cc2c1=O |t:20| Show InChI InChI=1S/C29H27F2N3O6/c30-18-3-1-17(2-4-18)26-25(16-40-29(26)38)39-12-11-32-7-9-33(10-8-32)24-14-23-20(13-22(24)31)27(35)21(28(36)37)15-34(23)19-5-6-19/h1-4,13-15,19H,5-12,16H2,(H,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in enzyme-mediated DNA supercoiling using relaxed pBR322 substrate incubated for 60 m...				Bioorg Med Chem 22: 3620-8 (2014) Article DOI: 10.1016/j.bmc.2014.05.018 BindingDB Entry DOI: 10.7270/Q2NV9N7J
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50042189 (CHEMBL3360676) Show SMILES CN1CCC(Cn2c3nc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4F)c4cccnc4c3[nH]c2=O)CC1 Show InChI InChI=1S/C34H29F2N7O4/c1-41-16-12-20(13-17-41)19-43-30-29(39-34(43)46)28-24(4-2-14-37-28)32(40-30)47-27-11-8-22(18-26(27)36)38-31(44)25-5-3-15-42(33(25)45)23-9-6-21(35)7-10-23/h2-11,14-15,18,20H,12-13,16-17,19H2,1H3,(H,38,44)(H,39,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method				Bioorg Med Chem Lett 25: 708-16 (2015) Article DOI: 10.1016/j.bmcl.2014.11.070 BindingDB Entry DOI: 10.7270/Q21C1ZHD
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50075487 (CHEMBL3415540) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(Cl)c1C#N Show InChI InChI=1S/C17H14ClN3O3S/c1-5-6-25-17-20-14(11(9-19)16(18)21-17)10-7-12(22-2)15(24-4)13(8-10)23-3/h1,7-8H,6H2,2-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (157 to 852) (unknown origin) transfected in Escherichia coli BL21(DE) by fluorescence assay				J Med Chem 58: 1705-16 (2015) Article DOI: 10.1021/acs.jmedchem.5b00037 BindingDB Entry DOI: 10.7270/Q2CC12CZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50075560 (CHEMBL3415364) Show SMILES Cc1ccc(cc1)-c1nc(SCC#C)nc(NNC(N)=O)c1C#N Show InChI InChI=1S/C16H14N6OS/c1-3-8-24-16-19-13(11-6-4-10(2)5-7-11)12(9-17)14(20-16)21-22-15(18)23/h1,4-7H,8H2,2H3,(H3,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (157 to 852) (unknown origin) transfected in Escherichia coli BL21(DE) by fluorescence assay				J Med Chem 58: 1705-16 (2015) Article DOI: 10.1021/acs.jmedchem.5b00037 BindingDB Entry DOI: 10.7270/Q2CC12CZ
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50493384 (CHEMBL2425474) Show SMILES ONC(=O)CC(O)c1ccc(Cl)cc1 Show InChI InChI=1S/C9H10ClNO3/c10-7-3-1-6(2-4-7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of urease extracted from Helicobacter pylori ATCC 43504 assessed as ammonia production preincubated for 1.5 hrs by indophenol-based method				Eur J Med Chem 68: 212-21 (2013) Article DOI: 10.1016/j.ejmech.2013.07.047 BindingDB Entry DOI: 10.7270/Q28G8PNR
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50592734 (CHEMBL5176164) Show SMILES CCNCCNC(=O)CC(CC(=O)N(CC)C1Cc2ccccc2C1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128880 BindingDB Entry DOI: 10.7270/Q2ST7TVT
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50592731 (CHEMBL5202341) Show SMILES CCN(C1Cc2ccccc2C1)C(=O)CC(CC(=O)NCCN1CCCCC1)c1ccc(Cl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128880 BindingDB Entry DOI: 10.7270/Q2ST7TVT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50075565 (CHEMBL3415360) Show SMILES NC(=S)NNc1nc(SCC#C)nc(-c2cccc(Cl)c2)c1C#N Show InChI InChI=1S/C15H11ClN6S2/c1-2-6-24-15-19-12(9-4-3-5-10(16)7-9)11(8-17)13(20-15)21-22-14(18)23/h1,3-5,7H,6H2,(H3,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (157 to 852) (unknown origin) transfected in Escherichia coli BL21(DE) by fluorescence assay				J Med Chem 58: 1705-16 (2015) Article DOI: 10.1021/acs.jmedchem.5b00037 BindingDB Entry DOI: 10.7270/Q2CC12CZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50042192 (CHEMBL3360673) Show SMILES Oc1ccc(Cn2c3nc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4F)c4cccnc4c3[nH]c2=O)cc1 Show InChI InChI=1S/C34H22F2N6O5/c35-20-7-10-22(11-8-20)41-16-2-4-25(33(41)45)31(44)38-21-9-14-27(26(36)17-21)47-32-24-3-1-15-37-28(24)29-30(40-32)42(34(46)39-29)18-19-5-12-23(43)13-6-19/h1-17,43H,18H2,(H,38,44)(H,39,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method				Bioorg Med Chem Lett 25: 708-16 (2015) Article DOI: 10.1016/j.bmcl.2014.11.070 BindingDB Entry DOI: 10.7270/Q21C1ZHD
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 147 total )  |  Next  |  Last  >>

Jump to: