Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'mankovich' and Initial = 'ja'   

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
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566082 (CHEMBL4779359) Show SMILES CN1CCN(Cc2ccc(-c3c[nH]c4ccncc34)c(OCCc3ccc(cc3)-c3cccc4ccncc34)c2)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of probe-5 binding to human TNFalpha (77 to 233 residues) at 1 nM by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566088 (CHEMBL4793924) Show SMILES [H][C@]12CNC(=O)N1CCN(C2)c1ncc(cn1)-c1ccc2C(=O)C(C)(C)N(Cc3cccnc3C#N)c2c1 |r| 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	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of probe-5 binding to human TNFalpha (77 to 233 residues) at 1 nM by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair
Tumor necrosis factor (Mus musculus)	BDBM50566088 (CHEMBL4793924) Show SMILES [H][C@]12CNC(=O)N1CCN(C2)c1ncc(cn1)-c1ccc2C(=O)C(C)(C)N(Cc3cccnc3C#N)c2c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TNFalpha in mouse L929 cells exposed to compound incubated for 1 hr with mouse TNFalpha by luminescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair
Tumor necrosis factor (Mus musculus)	BDBM50566087 (CHEMBL4787790) Show SMILES C[C@@H]1CN(CCN1C(=O)CO)c1ncc(cn1)-c1ccc2C(=O)C(C)(C)N(Cc3cccnc3C#N)c2c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TNFalpha in mouse L929 cells exposed to compound incubated for 1 hr with mouse TNFalpha by luminescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair
Tumor necrosis factor (Mus musculus)	BDBM50566082 (CHEMBL4779359) Show SMILES CN1CCN(Cc2ccc(-c3c[nH]c4ccncc34)c(OCCc3ccc(cc3)-c3cccc4ccncc34)c2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TNFalpha in mouse L929 cells exposed to compound incubated for 1 hr with mouse TNFalpha by luminescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair
Tumor necrosis factor (Mus musculus)	BDBM50566086 (CHEMBL4793441) Show SMILES C[C@@H]1CN(CCN1C(=O)CO)c1ncc(cn1)-c1ccc2C(=O)C(C)(C)N(Cc3ccccc3OC(F)F)c2c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TNFalpha in mouse L929 cells exposed to compound incubated for 1 hr with mouse TNFalpha by luminescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566087 (CHEMBL4787790) Show SMILES C[C@@H]1CN(CCN1C(=O)CO)c1ncc(cn1)-c1ccc2C(=O)C(C)(C)N(Cc3cccnc3C#N)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of probe-5 binding to human TNFalpha (77 to 233 residues) at 1 nM by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566086 (CHEMBL4793441) Show SMILES C[C@@H]1CN(CCN1C(=O)CO)c1ncc(cn1)-c1ccc2C(=O)C(C)(C)N(Cc3ccccc3OC(F)F)c2c1 |r| 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	189	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of probe-5 binding to human TNFalpha (77 to 233 residues) at 1 nM by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant phospho-MK2 (36-400) by HTRF assay				Bioorg Med Chem Lett 20: 330-3 (2010) Article DOI: 10.1016/j.bmcl.2009.10.102 BindingDB Entry DOI: 10.7270/Q24M95GT
					More data for this Ligand-Target Pair				3D Structure (docked)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [8-3H]ATP from human recombinant phospho-MK2 (36-400) by scintillation proximity assay				Bioorg Med Chem Lett 20: 330-3 (2010) Article DOI: 10.1016/j.bmcl.2009.10.102 BindingDB Entry DOI: 10.7270/Q24M95GT
					More data for this Ligand-Target Pair				3D Structure (docked)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566081 (CHEMBL4778232) Show SMILES C(Cc1ccc(cc1)-c1cccc2ccncc12)Oc1ccccc1-c1cccc2ccncc12 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	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of probe-5 binding to human TNFalpha (77 to 233 residues) at 1 nM by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [8-3H]ATP from human recombinant MK2 (36-400) by scintillation proximity assay				Bioorg Med Chem Lett 20: 330-3 (2010) Article DOI: 10.1016/j.bmcl.2009.10.102 BindingDB Entry DOI: 10.7270/Q24M95GT
					More data for this Ligand-Target Pair				3D Structure (docked)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50366480 (ADENOSINE TRIPHOSPHATE | ATP) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant phospho-MK2 (36-400) by HTRF assay				Bioorg Med Chem Lett 20: 330-3 (2010) Article DOI: 10.1016/j.bmcl.2009.10.102 BindingDB Entry DOI: 10.7270/Q24M95GT
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [8-3H]ATP from human recombinant MK2 (41-364) by scintillation proximity assay				Bioorg Med Chem Lett 20: 330-3 (2010) Article DOI: 10.1016/j.bmcl.2009.10.102 BindingDB Entry DOI: 10.7270/Q24M95GT
					More data for this Ligand-Target Pair				3D Structure (docked)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566085 (CHEMBL4779860) Show SMILES CC1(C)N(Cc2ccccc2OC(F)F)c2ccccc2C1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of probe-5 binding to human TNFalpha (77 to 233 residues) at 1 nM by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50366480 (ADENOSINE TRIPHOSPHATE | ATP) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [8-3H]ATP from human recombinant MK2 (36-400) by scintillation proximity assay				Bioorg Med Chem Lett 20: 330-3 (2010) Article DOI: 10.1016/j.bmcl.2009.10.102 BindingDB Entry DOI: 10.7270/Q24M95GT
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566080 (CHEMBL4783333) Show SMILES N#CCc1ccc(cc1)-c1cccc2ccncc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of probe-5 binding to human TNFalpha (77 to 233 residues) at 1 nM by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50366480 (ADENOSINE TRIPHOSPHATE | ATP) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [8-3H]ATP from human recombinant MK2 (41-364) by scintillation proximity assay				Bioorg Med Chem Lett 20: 330-3 (2010) Article DOI: 10.1016/j.bmcl.2009.10.102 BindingDB Entry DOI: 10.7270/Q24M95GT
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566079 (CHEMBL4793685) Show SMILES c1ccc(cc1)-c1cccc2ccncc12 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	2.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of probe-5 binding to human TNFalpha (77 to 233 residues) at 1 nM by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM3787 (1-Phenylbenzimidazole deriv. 4 | 1-benzyl-1H-1,3-b...) Show SMILES C(c1ccccc1)n1cnc2ccccc12 Show InChI InChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of probe-5 binding to human TNFalpha (77 to 233 residues) at 1 nM by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566083 (CHEMBL4777805) Show SMILES Cc1ccc(Cn2cnc3ccccc23)c(C)c1 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	n/a	1.06E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM3787 (1-Phenylbenzimidazole deriv. 4 | 1-benzyl-1H-1,3-b...) Show SMILES C(c1ccccc1)n1cnc2ccccc12 Show InChI InChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566082 (CHEMBL4779359) Show SMILES CN1CCN(Cc2ccc(-c3c[nH]c4ccncc34)c(OCCc3ccc(cc3)-c3cccc4ccncc34)c2)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566081 (CHEMBL4778232) Show SMILES C(Cc1ccc(cc1)-c1cccc2ccncc12)Oc1ccccc1-c1cccc2ccncc12 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	n/a	74	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566080 (CHEMBL4783333) Show SMILES N#CCc1ccc(cc1)-c1cccc2ccncc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566079 (CHEMBL4793685) Show SMILES c1ccc(cc1)-c1cccc2ccncc12 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	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566084 (CHEMBL1507048) Show SMILES Cc1nc2ccccc2n1Cc1ccccc1 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	n/a	3.25E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566085 (CHEMBL4779860) Show SMILES CC1(C)N(Cc2ccccc2OC(F)F)c2ccccc2C1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566086 (CHEMBL4793441) Show SMILES C[C@@H]1CN(CCN1C(=O)CO)c1ncc(cn1)-c1ccc2C(=O)C(C)(C)N(Cc3ccccc3OC(F)F)c2c1 |r| 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	n/a	1.30	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566087 (CHEMBL4787790) Show SMILES C[C@@H]1CN(CCN1C(=O)CO)c1ncc(cn1)-c1ccc2C(=O)C(C)(C)N(Cc3cccnc3C#N)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566088 (CHEMBL4793924) Show SMILES [H][C@]12CNC(=O)N1CCN(C2)c1ncc(cn1)-c1ccc2C(=O)C(C)(C)N(Cc3cccnc3C#N)c2c1 |r| 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	n/a	6.80	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair