Compile Data Set for Download or QSAR

Found 1087 hits with Last Name = 'rohdich' and Initial = 'f'   

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
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM50524862 (CHEMBL4475680) Show SMILES O[C@@]1(CCN(C1=O)c1ccc2NC(=O)CCc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r| Show InChI InChI=1S/C21H19ClFN3O4/c22-14-7-12(8-15(23)10-14)11-24-19(28)21(30)5-6-26(20(21)29)16-2-3-17-13(9-16)1-4-18(27)25-17/h2-3,7-10,30H,1,4-6,11H2,(H,24,28)(H,25,27)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...				J Med Chem 62: 11119-11134 (2019) Article DOI: 10.1021/acs.jmedchem.9b01070 BindingDB Entry DOI: 10.7270/Q26H4MXQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM50524862 (CHEMBL4475680) Show SMILES O[C@@]1(CCN(C1=O)c1ccc2NC(=O)CCc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r| Show InChI InChI=1S/C21H19ClFN3O4/c22-14-7-12(8-15(23)10-14)11-24-19(28)21(30)5-6-26(20(21)29)16-2-3-17-13(9-16)1-4-18(27)25-17/h2-3,7-10,30H,1,4-6,11H2,(H,24,28)(H,25,27)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...				J Med Chem 62: 11119-11134 (2019) Article DOI: 10.1021/acs.jmedchem.9b01070 BindingDB Entry DOI: 10.7270/Q26H4MXQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM401307 (US10005756, Compound A78) Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...				J Med Chem 62: 11119-11134 (2019) Article DOI: 10.1021/acs.jmedchem.9b01070 BindingDB Entry DOI: 10.7270/Q26H4MXQ
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM401307 (US10005756, Compound A78) Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...				J Med Chem 62: 11119-11134 (2019) Article DOI: 10.1021/acs.jmedchem.9b01070 BindingDB Entry DOI: 10.7270/Q26H4MXQ
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM50531161 (CHEMBL4448724) Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r| Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-24-17(26)19(28)2-4-25(18(19)27)15-7-12-1-3-22-16(12)23-10-15/h1,3,5-8,10,28H,2,4,9H2,(H,22,23)(H,24,26)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...				J Med Chem 62: 11119-11134 (2019) Article DOI: 10.1021/acs.jmedchem.9b01070 BindingDB Entry DOI: 10.7270/Q26H4MXQ
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM50531161 (CHEMBL4448724) Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r| Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-24-17(26)19(28)2-4-25(18(19)27)15-7-12-1-3-22-16(12)23-10-15/h1,3,5-8,10,28H,2,4,9H2,(H,22,23)(H,24,26)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...				J Med Chem 62: 11119-11134 (2019) Article DOI: 10.1021/acs.jmedchem.9b01070 BindingDB Entry DOI: 10.7270/Q26H4MXQ
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM50531163 (CHEMBL4464946) Show SMILES O[C@@]1(CCN(C1=O)c1ccc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C20H17F2N3O3/c21-14-7-12(8-15(22)10-14)11-24-18(26)20(28)4-6-25(19(20)27)16-1-2-17-13(9-16)3-5-23-17/h1-3,5,7-10,23,28H,4,6,11H2,(H,24,26)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...				J Med Chem 62: 11119-11134 (2019) Article DOI: 10.1021/acs.jmedchem.9b01070 BindingDB Entry DOI: 10.7270/Q26H4MXQ
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM50531163 (CHEMBL4464946) Show SMILES O[C@@]1(CCN(C1=O)c1ccc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C20H17F2N3O3/c21-14-7-12(8-15(22)10-14)11-24-18(26)20(28)4-6-25(19(20)27)16-1-2-17-13(9-16)3-5-23-17/h1-3,5,7-10,23,28H,4,6,11H2,(H,24,26)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...				J Med Chem 62: 11119-11134 (2019) Article DOI: 10.1021/acs.jmedchem.9b01070 BindingDB Entry DOI: 10.7270/Q26H4MXQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50505332 (CHEMBL4567515) Show SMILES Cl.Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C20H20FN3O/c1-12-10-16(21)11-17-18(12)23-19(24-20(17)25)15-4-2-13(3-5-15)14-6-8-22-9-7-14/h2-5,10-11,14,22H,6-9H2,1H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by whole cell patch clamp method				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656 BindingDB Entry DOI: 10.7270/Q2FJ2M28
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50189412 (CHEMBL3827983) Show SMILES CNC(=O)c1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1 Show InChI InChI=1S/C20H17N5O/c1-21-20(26)18-8-7-15-9-22-11-17(19(15)24-18)14-5-3-13(4-6-14)16-10-23-25(2)12-16/h3-12H,1-2H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24...				ACS Med Chem Lett 7: 573-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00022 BindingDB Entry DOI: 10.7270/Q2N87CRB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50189417 (CHEMBL3828116) Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)C(N)=O Show InChI InChI=1S/C19H15N5O/c1-24-11-15(9-22-24)12-2-4-13(5-3-12)16-10-21-8-14-6-7-17(19(20)25)23-18(14)16/h2-11H,1H3,(H2,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24...				ACS Med Chem Lett 7: 573-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00022 BindingDB Entry DOI: 10.7270/Q2N87CRB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50505331 (CHEMBL4458129) Show SMILES Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)O Show InChI InChI=1S/C18H17FN2O2/c1-10-8-13(19)9-14-15(10)20-16(21-17(14)22)11-4-6-12(7-5-11)18(2,3)23/h4-9,23H,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS2 (873 to 1166 residues) expressed in baculovirus infected sf9 cells assessed ...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656 BindingDB Entry DOI: 10.7270/Q2FJ2M28
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50593627 (CHEMBL5199558) Show SMILES Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)C(C)(C)O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50191472 (CHEMBL3956719) Show SMILES Cc1n[nH]c2ccc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H18ClN3O/c1-12-16-11-14(6-9-17(16)22-21-12)19(24)23-10-2-3-18(23)13-4-7-15(20)8-5-13/h4-9,11,18H,2-3,10H2,1H3,(H,21,22)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CDK8 in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24 hrs by luciferase reporter gene ...				J Med Chem 59: 9337-9349 (2016) BindingDB Entry DOI: 10.7270/Q2K64M1C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50189435 (CHEMBL3828003) Show SMILES CNC(=O)c1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2c1 Show InChI InChI=1S/C21H18N4O/c1-22-21(26)16-7-8-17-10-23-12-20(19(17)9-16)15-5-3-14(4-6-15)18-11-24-25(2)13-18/h3-13H,1-2H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24...				ACS Med Chem Lett 7: 573-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00022 BindingDB Entry DOI: 10.7270/Q2N87CRB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50505332 (CHEMBL4567515) Show SMILES Cl.Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C20H20FN3O/c1-12-10-16(21)11-17-18(12)23-19(24-20(17)25)15-4-2-13(3-5-15)14-6-8-22-9-7-14/h2-5,10-11,14,22H,6-9H2,1H3,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS2 (873 to 1166 residues) expressed in baculovirus infected sf9 cells assessed ...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656 BindingDB Entry DOI: 10.7270/Q2FJ2M28
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50189434 (CHEMBL3828221) Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)-c1nccn1C Show InChI InChI=1S/C22H18N6/c1-27-10-9-24-22(27)20-8-7-17-11-23-13-19(21(17)26-20)16-5-3-15(4-6-16)18-12-25-28(2)14-18/h3-14H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647...				ACS Med Chem Lett 7: 573-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00022 BindingDB Entry DOI: 10.7270/Q2N87CRB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50505331 (CHEMBL4458129) Show SMILES Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)O Show InChI InChI=1S/C18H17FN2O2/c1-10-8-13(19)9-14-15(10)20-16(21-17(14)22)11-4-6-12(7-5-11)18(2,3)23/h4-9,23H,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS1 (1023 to 1327 residues) expressed in baculovirus infected sf9 cells assessed...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656 BindingDB Entry DOI: 10.7270/Q2FJ2M28
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50409634 (CHEMBL5274873) Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCOCC2)CCC(=O)N(CC2CC2)C1 Show InChI InChI=1S/C24H33Cl2N3O2/c25-21-4-3-19(13-22(21)26)24(6-5-23(30)29(17-24)14-18-1-2-18)7-8-27-15-20(16-27)28-9-11-31-12-10-28/h3-4,13,18,20H,1-2,5-12,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei				Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50409622 (CHEMBL5272750) Show SMILES Cc1cccc(CN2CC(CCN3CC(C3)N3CCOCC3)(CCC2=O)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C28H35Cl2N3O2/c1-21-3-2-4-22(15-21)17-33-20-28(8-7-27(33)34,23-5-6-25(29)26(30)16-23)9-10-31-18-24(19-31)32-11-13-35-14-12-32/h2-6,15-16,24H,7-14,17-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea				Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50409634 (CHEMBL5274873) Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCOCC2)CCC(=O)N(CC2CC2)C1 Show InChI InChI=1S/C24H33Cl2N3O2/c25-21-4-3-19(13-22(21)26)24(6-5-23(30)29(17-24)14-18-1-2-18)7-8-27-15-20(16-27)28-9-11-31-12-10-28/h3-4,13,18,20H,1-2,5-12,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50189415 (CHEMBL3828637) Show SMILES CNC(=O)c1ccc2cncc(-c3ccc4N(C)S(=O)(=O)Cc4c3)c2n1 Show InChI InChI=1S/C18H16N4O3S/c1-19-18(23)15-5-3-12-8-20-9-14(17(12)21-15)11-4-6-16-13(7-11)10-26(24,25)22(16)2/h3-9H,10H2,1-2H3,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647...				ACS Med Chem Lett 7: 573-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00022 BindingDB Entry DOI: 10.7270/Q2N87CRB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50593627 (CHEMBL5199558) Show SMILES Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)C(C)(C)O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50409619 (CHEMBL5271127) Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCOCC2=O)CCC(=O)N(Cc2ccccc2)C1 Show InChI InChI=1S/C27H31Cl2N3O3/c28-23-7-6-21(14-24(23)29)27(9-8-25(33)31(19-27)15-20-4-2-1-3-5-20)10-11-30-16-22(17-30)32-12-13-35-18-26(32)34/h1-7,14,22H,8-13,15-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea				Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50409622 (CHEMBL5272750) Show SMILES Cc1cccc(CN2CC(CCN3CC(C3)N3CCOCC3)(CCC2=O)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C28H35Cl2N3O2/c1-21-3-2-4-22(15-21)17-33-20-28(8-7-27(33)34,23-5-6-25(29)26(30)16-23)9-10-31-18-24(19-31)32-11-13-35-14-12-32/h2-6,15-16,24H,7-14,17-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50189428 (CHEMBL3828458) Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)N1CCNC1=O Show InChI InChI=1S/C21H18N6O/c1-26-13-17(11-24-26)14-2-4-15(5-3-14)18-12-22-10-16-6-7-19(25-20(16)18)27-9-8-23-21(27)28/h2-7,10-13H,8-9H2,1H3,(H,23,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647...				ACS Med Chem Lett 7: 573-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00022 BindingDB Entry DOI: 10.7270/Q2N87CRB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50409619 (CHEMBL5271127) Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCOCC2=O)CCC(=O)N(Cc2ccccc2)C1 Show InChI InChI=1S/C27H31Cl2N3O3/c28-23-7-6-21(14-24(23)29)27(9-8-25(33)31(19-27)15-20-4-2-1-3-5-20)10-11-30-16-22(17-30)32-12-13-35-18-26(32)34/h1-7,14,22H,8-13,15-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50189436 (CHEMBL3827327) Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)C(=O)NC1CC1 Show InChI InChI=1S/C23H20N4O/c1-27-14-19(12-25-27)15-2-4-16(5-3-15)22-13-24-11-18-7-6-17(10-21(18)22)23(28)26-20-8-9-20/h2-7,10-14,20H,8-9H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24...				ACS Med Chem Lett 7: 573-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00022 BindingDB Entry DOI: 10.7270/Q2N87CRB
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50189447 (CHEMBL3828553) Show SMILES COC1CN(C1)C(=O)c1ccc2c(N)ncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1 Show InChI InChI=1S/C23H22N6O2/c1-28-11-16(9-26-28)14-3-5-15(6-4-14)19-10-25-22(24)18-7-8-20(27-21(18)19)23(30)29-12-17(13-29)31-2/h3-11,17H,12-13H2,1-2H3,(H2,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647...				ACS Med Chem Lett 7: 573-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00022 BindingDB Entry DOI: 10.7270/Q2N87CRB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50409626 (CHEMBL5284314) Show SMILES OC1CCCN(C1)C1CN(CCC2(CCC(=O)N(Cc3ccccc3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C28H35Cl2N3O2/c29-25-9-8-22(15-26(25)30)28(11-10-27(35)33(20-28)16-21-5-2-1-3-6-21)12-14-31-17-23(18-31)32-13-4-7-24(34)19-32/h1-3,5-6,8-9,15,23-24,34H,4,7,10-14,16-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei				Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50505324 (CHEMBL4588170) Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)O Show InChI InChI=1S/C18H18N2O2/c1-11-5-4-6-14-15(11)19-16(20-17(14)21)12-7-9-13(10-8-12)18(2,3)22/h4-10,22H,1-3H3,(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS1 (1023 to 1327 residues) expressed in baculovirus infected sf9 cells assessed...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656 BindingDB Entry DOI: 10.7270/Q2FJ2M28
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50593627 (CHEMBL5199558) Show SMILES Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)C(C)(C)O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50069989 ((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00604 BindingDB Entry DOI: 10.7270/Q200064W
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50505332 (CHEMBL4567515) Show SMILES Cl.Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C20H20FN3O/c1-12-10-16(21)11-17-18(12)23-19(24-20(17)25)15-4-2-13(3-5-15)14-6-8-22-9-7-14/h2-5,10-11,14,22H,6-9H2,1H3,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS1 (1023 to 1327 residues) expressed in baculovirus infected sf9 cells assessed...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656 BindingDB Entry DOI: 10.7270/Q2FJ2M28
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50191414 (CHEMBL3947140) Show SMILES Cc1n[nH]c2ccc(nc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H17ClN4O/c1-11-17-14(22-21-11)8-9-15(20-17)18(24)23-10-2-3-16(23)12-4-6-13(19)7-5-12/h4-9,16H,2-3,10H2,1H3,(H,21,22)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of Alexa647 tracer binding to full length recombinant human His-tagged CDK8/cyclin C expressed in Baculovirus expression system preincubat...				J Med Chem 59: 9337-9349 (2016) BindingDB Entry DOI: 10.7270/Q2K64M1C
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50505324 (CHEMBL4588170) Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)O Show InChI InChI=1S/C18H18N2O2/c1-11-5-4-6-14-15(11)19-16(20-17(14)21)12-7-9-13(10-8-12)18(2,3)22/h4-10,22H,1-3H3,(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS2 (873 to 1166 residues) expressed in baculovirus infected sf9 cells assessed ...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656 BindingDB Entry DOI: 10.7270/Q2FJ2M28
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50191472 (CHEMBL3956719) Show SMILES Cc1n[nH]c2ccc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H18ClN3O/c1-12-16-11-14(6-9-17(16)22-21-12)19(24)23-10-2-3-18(23)13-4-7-15(20)8-5-13/h4-9,11,18H,2-3,10H2,1H3,(H,21,22)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of Alexa647 tracer binding to full length recombinant human His-tagged CDK8/cyclin C expressed in Baculovirus expression system preincubat...				J Med Chem 59: 9337-9349 (2016) BindingDB Entry DOI: 10.7270/Q2K64M1C
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50593627 (CHEMBL5199558) Show SMILES Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)C(C)(C)O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei				Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50505335 (CHEMBL4584689) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(C)cc(F)cc2c(=O)[nH]1 Show InChI InChI=1S/C20H21FN4O/c1-13-11-15(21)12-17-18(13)22-19(23-20(17)26)14-3-5-16(6-4-14)25-9-7-24(2)8-10-25/h3-6,11-12H,7-10H2,1-2H3,(H,22,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS1 (1023 to 1327 residues) expressed in baculovirus infected sf9 cells assessed...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656 BindingDB Entry DOI: 10.7270/Q2FJ2M28
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50189417 (CHEMBL3828116) Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)C(N)=O Show InChI InChI=1S/C19H15N5O/c1-24-11-15(9-22-24)12-2-4-13(5-3-12)16-10-21-8-14-6-7-17(19(20)25)23-18(14)16/h2-11H,1H3,(H2,20,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647...				ACS Med Chem Lett 7: 573-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00022 BindingDB Entry DOI: 10.7270/Q2N87CRB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50409618 (CHEMBL5281076) Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCNCC2)CCC(=O)N(Cc2ccccc2)C1 Show InChI InChI=1S/C27H34Cl2N4O/c28-24-7-6-22(16-25(24)29)27(10-13-31-18-23(19-31)32-14-11-30-12-15-32)9-8-26(34)33(20-27)17-21-4-2-1-3-5-21/h1-7,16,23,30H,8-15,17-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver				Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50409632 (CHEMBL5279709) Show SMILES NS(=O)(=O)N1CCN(CC1)C1CN(CCC2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C24H35Cl2N5O3S/c25-21-4-3-19(13-22(21)26)24(6-5-23(32)30(17-24)14-18-1-2-18)7-8-28-15-20(16-28)29-9-11-31(12-10-29)35(27,33)34/h3-4,13,18,20H,1-2,5-12,14-17H2,(H2,27,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50505334 (CHEMBL4551200) Show SMILES Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)OCCO Show InChI InChI=1S/C20H21FN2O3/c1-12-10-15(21)11-16-17(12)22-18(23-19(16)25)13-4-6-14(7-5-13)20(2,3)26-9-8-24/h4-7,10-11,24H,8-9H2,1-3H3,(H,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS2 (873 to 1166 residues) expressed in baculovirus infected sf9 cells assessed ...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656 BindingDB Entry DOI: 10.7270/Q2FJ2M28
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50163767 (CHEMBL3798944) Show SMILES CC(C)(O)Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C26H30ClN5O2/c1-25(2,34)17-32-16-20(13-30-32)18-3-5-19(6-4-18)21-14-28-15-22(27)23(21)31-11-8-26(9-12-31)7-10-29-24(26)33/h3-6,13-16,34H,7-12,17H2,1-2H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay				J Med Chem 59: 1078-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01685 BindingDB Entry DOI: 10.7270/Q29025P6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50409623 (CHEMBL5280682) Show SMILES CCOC1CCN(CC1)C1CN(CCC2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C27H39Cl2N3O2/c1-2-34-23-8-12-31(13-9-23)22-17-30(18-22)14-11-27(21-5-6-24(28)25(29)15-21)10-7-26(33)32(19-27)16-20-3-4-20/h5-6,15,20,22-23H,2-4,7-14,16-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea				Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50505334 (CHEMBL4551200) Show SMILES Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)OCCO Show InChI InChI=1S/C20H21FN2O3/c1-12-10-15(21)11-16-17(12)22-18(23-19(16)25)13-4-6-14(7-5-13)20(2,3)26-9-8-24/h4-7,10-11,24H,8-9H2,1-3H3,(H,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS1 (1023 to 1327 residues) expressed in baculovirus infected sf9 cells assessed...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656 BindingDB Entry DOI: 10.7270/Q2FJ2M28
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50163774 (CHEMBL3797855) Show SMILES Nc1n[nH]c2cc(ccc12)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C20H21ClN6O/c21-15-11-23-10-14(12-1-2-13-16(9-12)25-26-18(13)22)17(15)27-7-4-20(5-8-27)3-6-24-19(20)28/h1-2,9-11H,3-8H2,(H,24,28)(H3,22,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay				J Med Chem 59: 1078-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01685 BindingDB Entry DOI: 10.7270/Q29025P6
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50189415 (CHEMBL3828637) Show SMILES CNC(=O)c1ccc2cncc(-c3ccc4N(C)S(=O)(=O)Cc4c3)c2n1 Show InChI InChI=1S/C18H16N4O3S/c1-19-18(23)15-5-3-12-8-20-9-14(17(12)21-15)11-4-6-16-13(7-11)10-26(24,25)22(16)2/h3-9H,10H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24...				ACS Med Chem Lett 7: 573-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00022 BindingDB Entry DOI: 10.7270/Q2N87CRB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50601642 (CHEMBL5188533) Show SMILES CCc1cccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)B(O)O)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00604 BindingDB Entry DOI: 10.7270/Q200064W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50409621 (CHEMBL5269584) Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCOCC2)CCC(=O)N(C1)C1CCCCC1 Show InChI InChI=1S/C26H37Cl2N3O2/c27-23-7-6-20(16-24(23)28)26(9-8-25(32)31(19-26)21-4-2-1-3-5-21)10-11-29-17-22(18-29)30-12-14-33-15-13-30/h6-7,16,21-22H,1-5,8-15,17-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver				Citation and Details
					More data for this Ligand-Target Pair

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