Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'lima' and Initial = 'es'   

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
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50103642 (4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...) Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50103642 (4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...) Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562581 (CHEMBL4795744) Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)n1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562581 (CHEMBL4795744) Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)n1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562580 (CHEMBL4741019) Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CC[S+]([O-])CC3)cc2)n1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562580 (CHEMBL4741019) Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CC[S+]([O-])CC3)cc2)n1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562583 (CHEMBL4745950) Show SMILES CCS(=O)(=O)N1CCN(Cc2ccc(Nc3nccc(Oc4c(C)cc(\C=C\C#N)cc4C)n3)cc2)CC1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562583 (CHEMBL4745950) Show SMILES CCS(=O)(=O)N1CCN(Cc2ccc(Nc3nccc(Oc4c(C)cc(\C=C\C#N)cc4C)n3)cc2)CC1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562579 (CHEMBL4740496) Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCSCC3)cc2)n1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562579 (CHEMBL4740496) Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCSCC3)cc2)n1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562584 (CHEMBL4740036) Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562584 (CHEMBL4740036) Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562577 (CHEMBL4756531) Show SMILES CC(C)S(=O)(=O)N1CCN(Cc2ccc(Nc3nccc(Oc4c(C)cc(cc4C)C#N)n3)cc2)CC1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562577 (CHEMBL4756531) Show SMILES CC(C)S(=O)(=O)N1CCN(Cc2ccc(Nc3nccc(Oc4c(C)cc(cc4C)C#N)n3)cc2)CC1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562575 (CHEMBL4764884) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)n1)C#N Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562575 (CHEMBL4764884) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)n1)C#N Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50504275 (CHEMBL4521092) Show SMILES Cc1ccc(Cn2cc(CNC3=C(Cl)C(=O)c4cccnc4C3=O)nn2)cc1 |c:11| Show InChI InChI=1S/C20H16ClN5O2/c1-12-4-6-13(7-5-12)10-26-11-14(24-25-26)9-23-18-16(21)19(27)15-3-2-8-22-17(15)20(18)28/h2-8,11,23H,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc25C using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111696 BindingDB Entry DOI: 10.7270/Q21R6TS1
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562582 (CHEMBL4750593) Show SMILES CN(C)S(=O)(=O)N1CCCN(Cc2ccc(Nc3nccc(Oc4c(C)cc(\C=C\C#N)cc4C)n3)cc2)CC1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562582 (CHEMBL4750593) Show SMILES CN(C)S(=O)(=O)N1CCCN(Cc2ccc(Nc3nccc(Oc4c(C)cc(\C=C\C#N)cc4C)n3)cc2)CC1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562578 (CHEMBL4741136) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1)C#N Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562578 (CHEMBL4741136) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1)C#N Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562576 (CHEMBL4748138) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(CN3CCCN(CC3)S(=O)(=O)C3CC3)cc2)n1)C#N Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50562576 (CHEMBL4748138) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(CN3CCCN(CC3)S(=O)(=O)C3CC3)cc2)n1)C#N Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50504277 (CHEMBL4566962) Show SMILES ClC1=C(NCc2cn(Cc3cccc(c3)C#N)nn2)C(=O)c2ncccc2C1=O |c:1| Show InChI InChI=1S/C20H13ClN6O2/c21-16-18(20(29)17-15(19(16)28)5-2-6-23-17)24-9-14-11-27(26-25-14)10-13-4-1-3-12(7-13)8-22/h1-7,11,24H,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc25C using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111696 BindingDB Entry DOI: 10.7270/Q21R6TS1
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50504276 (CHEMBL4466461) Show SMILES ClC1=C(NCc2cn(Cc3ccccc3C#N)nn2)C(=O)c2ncccc2C1=O |c:1| Show InChI InChI=1S/C20H13ClN6O2/c21-16-18(20(29)17-15(19(16)28)6-3-7-23-17)24-9-14-11-27(26-25-14)10-13-5-2-1-4-12(13)8-22/h1-7,11,24H,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc25C using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111696 BindingDB Entry DOI: 10.7270/Q21R6TS1
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50504275 (CHEMBL4521092) Show SMILES Cc1ccc(Cn2cc(CNC3=C(Cl)C(=O)c4cccnc4C3=O)nn2)cc1 |c:11| Show InChI InChI=1S/C20H16ClN5O2/c1-12-4-6-13(7-5-12)10-26-11-14(24-25-26)9-23-18-16(21)19(27)15-3-2-8-22-17(15)20(18)28/h2-8,11,23H,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc25A using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111696 BindingDB Entry DOI: 10.7270/Q21R6TS1
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50504277 (CHEMBL4566962) Show SMILES ClC1=C(NCc2cn(Cc3cccc(c3)C#N)nn2)C(=O)c2ncccc2C1=O |c:1| Show InChI InChI=1S/C20H13ClN6O2/c21-16-18(20(29)17-15(19(16)28)5-2-6-23-17)24-9-14-11-27(26-25-14)10-13-4-1-3-12(7-13)8-22/h1-7,11,24H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc25A using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111696 BindingDB Entry DOI: 10.7270/Q21R6TS1
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	646	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50106497 (6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...) Show SMILES Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12 |w:6.6| Show InChI InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-4,20-21H,5-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc25C using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111696 BindingDB Entry DOI: 10.7270/Q21R6TS1
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50504277 (CHEMBL4566962) Show SMILES ClC1=C(NCc2cn(Cc3cccc(c3)C#N)nn2)C(=O)c2ncccc2C1=O |c:1| Show InChI InChI=1S/C20H13ClN6O2/c21-16-18(20(29)17-15(19(16)28)5-2-6-23-17)24-9-14-11-27(26-25-14)10-13-4-1-3-12(7-13)8-22/h1-7,11,24H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc25B using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111696 BindingDB Entry DOI: 10.7270/Q21R6TS1
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50504276 (CHEMBL4466461) Show SMILES ClC1=C(NCc2cn(Cc3ccccc3C#N)nn2)C(=O)c2ncccc2C1=O |c:1| Show InChI InChI=1S/C20H13ClN6O2/c21-16-18(20(29)17-15(19(16)28)6-3-7-23-17)24-9-14-11-27(26-25-14)10-13-5-2-1-4-12(13)8-22/h1-7,11,24H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc25A using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111696 BindingDB Entry DOI: 10.7270/Q21R6TS1
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50106497 (6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...) Show SMILES Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12 |w:6.6| Show InChI InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-4,20-21H,5-9H2	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	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc25A using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111696 BindingDB Entry DOI: 10.7270/Q21R6TS1
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50106497 (6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...) Show SMILES Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12 |w:6.6| Show InChI InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-4,20-21H,5-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc25B using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111696 BindingDB Entry DOI: 10.7270/Q21R6TS1
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50504275 (CHEMBL4521092) Show SMILES Cc1ccc(Cn2cc(CNC3=C(Cl)C(=O)c4cccnc4C3=O)nn2)cc1 |c:11| Show InChI InChI=1S/C20H16ClN5O2/c1-12-4-6-13(7-5-12)10-26-11-14(24-25-26)9-23-18-16(21)19(27)15-3-2-8-22-17(15)20(18)28/h2-8,11,23H,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc25B using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111696 BindingDB Entry DOI: 10.7270/Q21R6TS1
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50504276 (CHEMBL4466461) Show SMILES ClC1=C(NCc2cn(Cc3ccccc3C#N)nn2)C(=O)c2ncccc2C1=O |c:1| Show InChI InChI=1S/C20H13ClN6O2/c21-16-18(20(29)17-15(19(16)28)6-3-7-23-17)24-9-14-11-27(26-25-14)10-13-5-2-1-4-12(13)8-22/h1-7,11,24H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc25B using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111696 BindingDB Entry DOI: 10.7270/Q21R6TS1
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM50308256 (1-O-Methyl-2,3-O-isopropylidene-5-(4-cyclohexene-1...) Show SMILES CO[C@@H]1O[C@H](Cn2cc(nn2)C2=CCCCC2)[C@H]2OC(C)(C)O[C@@H]12 |r,t:12| Show InChI InChI=1S/C17H25N3O4/c1-17(2)23-14-13(22-16(21-3)15(14)24-17)10-20-9-12(18-19-20)11-7-5-4-6-8-11/h7,9,13-16H,4-6,8,10H2,1-3H3/t13-,14-,15-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry				J Med Chem 53: 2364-75 (2010) Article DOI: 10.1021/jm901265h BindingDB Entry DOI: 10.7270/Q20R9QC7
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM50308259 (1-O-Methyl-2,3-O-isopropylidene-5-[4-(1-hydroxycyc...) Show SMILES CO[C@@H]1O[C@H](Cn2cc(nn2)C2(O)CCCCC2)[C@H]2OC(C)(C)O[C@@H]12 |r| Show InChI InChI=1S/C17H27N3O5/c1-16(2)24-13-11(23-15(22-3)14(13)25-16)9-20-10-12(18-19-20)17(21)7-5-4-6-8-17/h10-11,13-15,21H,4-9H2,1-3H3/t11-,13-,14-,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry				J Med Chem 53: 2364-75 (2010) Article DOI: 10.1021/jm901265h BindingDB Entry DOI: 10.7270/Q20R9QC7
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM50308258 (1-O-Methyl-2,3-O-isopropylidene-5-(4-phenoxymethyl...) Show SMILES CO[C@@H]1O[C@H](Cn2cc(COc3ccccc3)nn2)[C@H]2OC(C)(C)O[C@@H]12 |r| Show InChI InChI=1S/C18H23N3O5/c1-18(2)25-15-14(24-17(22-3)16(15)26-18)10-21-9-12(19-20-21)11-23-13-7-5-4-6-8-13/h4-9,14-17H,10-11H2,1-3H3/t14-,15-,16-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry				J Med Chem 53: 2364-75 (2010) Article DOI: 10.1021/jm901265h BindingDB Entry DOI: 10.7270/Q20R9QC7
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM50308255 (1-O-Methyl-2,3-O-isopropylidene-5-(4-phenyl-1H-1,2...) Show SMILES CO[C@@H]1O[C@H](Cn2cc(nn2)-c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12 |r| Show InChI InChI=1S/C17H21N3O4/c1-17(2)23-14-13(22-16(21-3)15(14)24-17)10-20-9-12(18-19-20)11-7-5-4-6-8-11/h4-9,13-16H,10H2,1-3H3/t13-,14-,15-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry				J Med Chem 53: 2364-75 (2010) Article DOI: 10.1021/jm901265h BindingDB Entry DOI: 10.7270/Q20R9QC7
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM50308257 (1-O-Methyl-2,3-O-isopropylidene-5-(4-carboxylate e...) Show SMILES CCOC(=O)c1cn(C[C@H]2O[C@@H](OC)[C@@H]3OC(C)(C)O[C@H]23)nn1 |r| Show InChI InChI=1S/C14H21N3O6/c1-5-20-12(18)8-6-17(16-15-8)7-9-10-11(13(19-4)21-9)23-14(2,3)22-10/h6,9-11,13H,5,7H2,1-4H3/t9-,10-,11-,13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry				J Med Chem 53: 2364-75 (2010) Article DOI: 10.1021/jm901265h BindingDB Entry DOI: 10.7270/Q20R9QC7
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM50308260 (1-O-Methyl-2,3-O-isopropylidene-5-[4-(tetrahydro-2...) Show SMILES CO[C@@H]1O[C@H](Cn2cc(COC3CCCCO3)nn2)[C@H]2OC(C)(C)O[C@@H]12 |r| Show InChI InChI=1S/C17H27N3O6/c1-17(2)25-14-12(24-16(21-3)15(14)26-17)9-20-8-11(18-19-20)10-23-13-6-4-5-7-22-13/h8,12-16H,4-7,9-10H2,1-3H3/t12-,13?,14-,15-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry				J Med Chem 53: 2364-75 (2010) Article DOI: 10.1021/jm901265h BindingDB Entry DOI: 10.7270/Q20R9QC7
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM50333465 ((2R,3R,4R,5R,6R)-5-((2R,3R,4R,5S,6R)-5-((2R,3R,4S,...) Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:37| Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry				J Med Chem 53: 2364-75 (2010) Article DOI: 10.1021/jm901265h BindingDB Entry DOI: 10.7270/Q20R9QC7
					More data for this Ligand-Target Pair