Compile Data Set for Download or QSAR

Found 2478 hits with Last Name = 'wu' and Initial = 'dr'   

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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526620 (CHEMBL4460368) Show SMILES CNc1cc(Nc2cccn(-c3cc(C)n(C)n3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F |r| Show InChI InChI=1S/C21H22FN9O2/c1-11-7-18(28-29(11)3)30-6-4-5-13(21(30)33)25-17-9-15(23-2)19-24-10-16(31(19)27-17)20(32)26-14-8-12(14)22/h4-7,9-10,12,14,23H,8H2,1-3H3,(H,25,27)(H,26,32)/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526622 (CHEMBL4442827) Show SMILES CNc1cc(Nc2cccn(-c3ccc(C)nn3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F |r| Show InChI InChI=1S/C21H20FN9O2/c1-11-5-6-18(28-27-11)30-7-3-4-13(21(30)33)25-17-9-15(23-2)19-24-10-16(31(19)29-17)20(32)26-14-8-12(14)22/h3-7,9-10,12,14,23H,8H2,1-2H3,(H,25,29)(H,26,32)/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526613 (CHEMBL4571920) Show SMILES CNc1cc(Nc2cccn(-c3cccc(F)n3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F |r| Show InChI InChI=1S/C21H18F2N8O2/c1-24-14-9-17(29-31-15(10-25-19(14)31)20(32)27-13-8-11(13)22)26-12-4-3-7-30(21(12)33)18-6-2-5-16(23)28-18/h2-7,9-11,13,24H,8H2,1H3,(H,26,29)(H,27,32)/t11-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526619 (CHEMBL4439957) Show SMILES CNc1cc(Nc2cccn(-c3ccc(F)cn3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F |r| Show InChI InChI=1S/C21H18F2N8O2/c1-24-15-8-17(29-31-16(10-26-19(15)31)20(32)28-14-7-12(14)23)27-13-3-2-6-30(21(13)33)18-5-4-11(22)9-25-18/h2-6,8-10,12,14,24H,7H2,1H3,(H,27,29)(H,28,32)/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526615 (CHEMBL4434711) Show SMILES CNc1cc(Nc2cccn(-c3ccc(cc3)C(C)(C)O)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C25H27N7O3/c1-25(2,35)15-6-10-17(11-7-15)31-12-4-5-18(24(31)34)29-21-13-19(26-3)22-27-14-20(32(22)30-21)23(33)28-16-8-9-16/h4-7,10-14,16,26,35H,8-9H2,1-3H3,(H,28,33)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582801 (CHEMBL5076656) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2cc(Cl)nn2)c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526606 (CHEMBL4532948 | US11174264, Compound I-3) Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F |r| Show InChI InChI=1S/C21H19FN8O2/c1-23-15-10-17(26-13-5-4-8-29(21(13)32)18-6-2-3-7-24-18)28-30-16(11-25-19(15)30)20(31)27-14-9-12(14)22/h2-8,10-12,14,23H,9H2,1H3,(H,26,28)(H,27,31)/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.0860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526624 (CHEMBL4443010) Show SMILES CNc1cc(Nc2cccn(-c3ccc(C)nn3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C21H21N9O2/c1-12-5-8-18(27-26-12)29-9-3-4-14(21(29)32)25-17-10-15(22-2)19-23-11-16(30(19)28-17)20(31)24-13-6-7-13/h3-5,8-11,13,22H,6-7H2,1-2H3,(H,24,31)(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM247411 (US10336754, Example 353 | US11053247, Example 353 ...) Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526617 (CHEMBL4435047) Show SMILES CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C21H19FN8O2/c1-23-15-10-17(28-30-16(11-25-19(15)30)20(31)26-12-6-7-12)27-14-5-3-9-29(21(14)32)18-13(22)4-2-8-24-18/h2-5,8-12,23H,6-7H2,1H3,(H,26,31)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582799 (CHEMBL5094166) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2cc(Cl)nn2)c2cc(ccn2)-c2c(NC1=O)cnn2C |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526603 (CHEMBL4293907) Show SMILES CNc1cc(Nc2cc(C)cc(C)c2)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C19H22N6O/c1-11-6-12(2)8-14(7-11)22-17-9-15(20-3)18-21-10-16(25(18)24-17)19(26)23-13-4-5-13/h6-10,13,20H,4-5H2,1-3H3,(H,22,24)(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526621 (CHEMBL4438107) Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)NC(C)C Show InChI InChI=1S/C21H22N8O2/c1-13(2)25-20(30)16-12-24-19-15(22-3)11-17(27-29(16)19)26-14-7-6-10-28(21(14)31)18-8-4-5-9-23-18/h4-13,22H,1-3H3,(H,25,30)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526607 (CHEMBL4474801) Show SMILES CNc1cc(Nc2cccn(-c3ccc(F)nc3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C21H19FN8O2/c1-23-15-9-18(28-30-16(11-25-19(15)30)20(31)26-12-4-5-12)27-14-3-2-8-29(21(14)32)13-6-7-17(22)24-10-13/h2-3,6-12,23H,4-5H2,1H3,(H,26,31)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526604 (CHEMBL4561123) Show SMILES CNc1cc(Nc2cccn(-c3ccc(F)cn3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C21H19FN8O2/c1-23-15-9-17(28-30-16(11-25-19(15)30)20(31)26-13-5-6-13)27-14-3-2-8-29(21(14)32)18-7-4-12(22)10-24-18/h2-4,7-11,13,23H,5-6H2,1H3,(H,26,31)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582800 (CHEMBL5093567) Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526610 (CHEMBL4453441) Show SMILES CNc1cc(Nc2cccn(-c3ccc(cc3)C#N)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C23H20N8O2/c1-25-18-11-20(29-31-19(13-26-21(18)31)22(32)27-15-6-7-15)28-17-3-2-10-30(23(17)33)16-8-4-14(12-24)5-9-16/h2-5,8-11,13,15,25H,6-7H2,1H3,(H,27,32)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526616 (CHEMBL4579439) Show SMILES CNc1cc(Nc2cccn(-c3cccc(F)n3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C21H19FN8O2/c1-23-14-10-17(28-30-15(11-24-19(14)30)20(31)25-12-7-8-12)26-13-4-3-9-29(21(13)32)18-6-2-5-16(22)27-18/h2-6,9-12,23H,7-8H2,1H3,(H,25,31)(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50541586 (CHEMBL4638245) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:22| Show InChI InChI=1S/C31H29ClF2N4O4/c1-17-4-3-5-26(38-13-11-19(15-27(38)39)28-23(33)9-8-22(32)29(28)34)25-14-18(10-12-35-25)21-7-6-20(36-31(41)42-2)16-24(21)37-30(17)40/h6-10,12,14-17,26H,3-5,11,13H2,1-2H3,(H,36,41)(H,37,40)/t17-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526605 (CHEMBL4438296) Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)NC1CCC1 Show InChI InChI=1S/C22H22N8O2/c1-23-16-12-18(27-15-8-5-11-29(22(15)32)19-9-2-3-10-24-19)28-30-17(13-25-20(16)30)21(31)26-14-6-4-7-14/h2-3,5,8-14,23H,4,6-7H2,1H3,(H,26,31)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526612 (CHEMBL4543066) Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C23H26N8O3/c1-23(2,14-32)13-27-21(33)17-12-26-20-16(24-3)11-18(29-31(17)20)28-15-7-6-10-30(22(15)34)19-8-4-5-9-25-19/h4-12,24,32H,13-14H2,1-3H3,(H,27,33)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526611 (CHEMBL4585272) Show SMILES CNc1cc(Nc2cccn(-c3ccncc3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C21H20N8O2/c1-22-16-11-18(27-29-17(12-24-19(16)29)20(30)25-13-4-5-13)26-15-3-2-10-28(21(15)31)14-6-8-23-9-7-14/h2-3,6-13,22H,4-5H2,1H3,(H,25,30)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526608 (CHEMBL4547009) Show SMILES CNc1cc(Nc2cccn(C3CC3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C19H21N7O2/c1-20-14-9-16(23-13-3-2-8-25(19(13)28)12-6-7-12)24-26-15(10-21-17(14)26)18(27)22-11-4-5-11/h2-3,8-12,20H,4-7H2,1H3,(H,22,27)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526623 (CHEMBL4466139 | US11174264, Compound I-4) Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C21H20N8O2/c1-22-15-11-17(27-29-16(12-24-19(15)29)20(30)25-13-7-8-13)26-14-5-4-10-28(21(14)31)18-6-2-3-9-23-18/h2-6,9-13,22H,7-8H2,1H3,(H,25,30)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526618 (CHEMBL4437714) Show SMILES CNc1cc(Nc2cccn(-c3ncc(F)cn3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C20H18FN9O2/c1-22-14-7-16(28-30-15(10-23-17(14)30)18(31)26-12-4-5-12)27-13-3-2-6-29(19(13)32)20-24-8-11(21)9-25-20/h2-3,6-10,12,22H,4-5H2,1H3,(H,26,31)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526609 (CHEMBL4454109) Show SMILES CNc1cc(Nc2cccn(-c3cc(C)n(C)n3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C21H23N9O2/c1-12-9-18(27-28(12)3)29-8-4-5-14(21(29)32)25-17-10-15(22-2)19-23-11-16(30(19)26-17)20(31)24-13-6-7-13/h4-5,8-11,13,22H,6-7H2,1-3H3,(H,24,31)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526614 (CHEMBL4517542) Show SMILES CNc1cc(Nc2cccn(C)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C17H19N7O2/c1-18-12-8-14(21-11-4-3-7-23(2)17(11)26)22-24-13(9-19-15(12)24)16(25)20-10-5-6-10/h3-4,7-10,18H,5-6H2,1-2H3,(H,20,25)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035 BindingDB Entry DOI: 10.7270/Q2TM7FKX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19202 ((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...) Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccsc1 |r,t:5| Show InChI InChI=1S/C24H25FN2OS/c1-23-13-16-14-26-27(20-8-6-19(25)7-9-20)21(16)12-17(23)4-3-5-22(23)24(2,28)18-10-11-29-15-18/h6-12,14-15,22,28H,3-5,13H2,1-2H3/t22-,23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582798 (CHEMBL5082323) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2ccnn2)c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303827 ((S)-1-((5aR,6S)-1-(4-fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccccc1 |r,t:7| Show InChI InChI=1S/C26H27FN2O/c1-25-16-29-17-28-24(18-11-13-21(27)14-12-18)22(29)15-20(25)9-6-10-23(25)26(2,30)19-7-4-3-5-8-19/h3-5,7-8,11-15,17,23,30H,6,9-10,16H2,1-2H3/t23-,25-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303831 (3-((S)-1-((5aR,6S)-1-(4-fluorophenyl)-5a-methyl-5,...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccc(c1)C#N |r,t:7| Show InChI InChI=1S/C27H26FN3O/c1-26-16-31-17-30-25(19-9-11-22(28)12-10-19)23(31)14-20(26)6-4-8-24(26)27(2,32)21-7-3-5-18(13-21)15-29/h3,5,7,9-14,17,24,32H,4,6,8,16H2,1-2H3/t24-,26-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440488 (CHEMBL2426147) Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1F)C(=O)Nc1nncs1 Show InChI InChI=1S/C26H21F2N5OS/c1-26(2,24(34)31-25-32-30-15-35-25)22(16-6-4-3-5-7-16)17-8-11-21-23(29-14-33(21)13-17)19-10-9-18(27)12-20(19)28/h3-15,22H,1-2H3,(H,31,32,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5571-4 (2013) Article DOI: 10.1016/j.bmcl.2013.08.049 BindingDB Entry DOI: 10.7270/Q2QC04Z4
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303813 ((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccsc1 |r,t:7| Show InChI InChI=1S/C24H25FN2OS/c1-23-14-27-15-26-22(16-6-8-19(25)9-7-16)20(27)12-17(23)4-3-5-21(23)24(2,28)18-10-11-29-13-18/h6-13,15,21,28H,3-5,14H2,1-2H3/t21-,23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5571-4 (2013) Article DOI: 10.1016/j.bmcl.2013.08.049 BindingDB Entry DOI: 10.7270/Q2QC04Z4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50582795 (CHEMBL5081455) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2ccnn2)c2cc(ccn2)-c2c(NC1=O)cnn2C1CC1 |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50582794 (CHEMBL5077709) Show SMILES CCn1ncc2NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3cc(Cl)ccc3-n3ccnn3)c3cc(ccn3)-c12 |r,c:18| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303811 ((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES Cc1ccc(s1)[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:14| Show InChI InChI=1S/C25H27FN2OS/c1-16-7-12-22(30-16)25(3,29)21-6-4-5-18-13-20-23(17-8-10-19(26)11-9-17)27-15-28(20)14-24(18,21)2/h7-13,15,21,29H,4-6,14H2,1-3H3/t21-,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582793 (CHEMBL5082956) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2ccnn2)c2cc(ccn2)-c2c(NC1=O)cnn2C |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19223 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1csc2ccccc12 |r,t:5| Show InChI InChI=1S/C27H25FN2OS/c1-27-14-17-15-29-30(20-11-9-19(28)10-12-20)24(17)13-18(27)5-4-7-23(27)26(31)22-16-32-25-8-3-2-6-21(22)25/h2-3,6,8-13,15-16,23,26,31H,4-5,7,14H2,1H3/t23-,26+,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303826 ((S)-1-(4-Fluorophenyl)-1-((5aR,6S)-1-(4-fluorophen...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(F)cc1 |r,t:7| Show InChI InChI=1S/C26H26F2N2O/c1-25-15-30-16-29-24(17-6-10-20(27)11-7-17)22(30)14-19(25)4-3-5-23(25)26(2,31)18-8-12-21(28)13-9-18/h6-14,16,23,31H,3-5,15H2,1-2H3/t23-,25-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303828 ((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES Cc1ccccc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:15| Show InChI InChI=1S/C27H29FN2O/c1-18-7-4-5-9-22(18)27(3,31)24-10-6-8-20-15-23-25(19-11-13-21(28)14-12-19)29-17-30(23)16-26(20,24)2/h4-5,7,9,11-15,17,24,31H,6,8,10,16H2,1-3H3/t24-,26-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303830 ((S)-1-(4-Chlorophenyl)-1-((5aR,6S)-1-(4-fluorophen...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(Cl)cc1 |r,t:7| Show InChI InChI=1S/C26H26ClFN2O/c1-25-15-30-16-29-24(17-6-12-21(28)13-7-17)22(30)14-19(25)4-3-5-23(25)26(2,31)18-8-10-20(27)11-9-18/h6-14,16,23,31H,3-5,15H2,1-2H3/t23-,25-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303808 ((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccnc1 |r,t:7| Show InChI InChI=1S/C25H26FN3O/c1-24-15-29-16-28-23(17-8-10-20(26)11-9-17)21(29)13-18(24)5-3-7-22(24)25(2,30)19-6-4-12-27-14-19/h4,6,8-14,16,22,30H,3,5,7,15H2,1-2H3/t22-,24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303809 ((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccncc1 |r,t:7| Show InChI InChI=1S/C25H26FN3O/c1-24-15-29-16-28-23(17-6-8-20(26)9-7-17)21(29)14-19(24)4-3-5-22(24)25(2,30)18-10-12-27-13-11-18/h6-14,16,22,30H,3-5,15H2,1-2H3/t22-,24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303810 ((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES Cc1ccsc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:14| Show InChI InChI=1S/C25H27FN2OS/c1-16-11-12-30-23(16)25(3,29)21-6-4-5-18-13-20-22(17-7-9-19(26)10-8-17)27-15-28(20)14-24(18,21)2/h7-13,15,21,29H,4-6,14H2,1-3H3/t21-,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303821 ((R)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@@](O)(C1CCOCC1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:14| Show InChI InChI=1S/C25H31FN2O2/c1-24-15-28-16-27-23(17-6-8-20(26)9-7-17)21(28)14-19(24)4-3-5-22(24)25(2,29)18-10-12-30-13-11-18/h6-9,14,16,18,22,29H,3-5,10-13,15H2,1-2H3/t22-,24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440490 (CHEMBL2426146) Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1F)C(=O)Nc1nccs1 Show InChI InChI=1S/C27H22F2N4OS/c1-27(2,25(34)32-26-30-12-13-35-26)23(17-6-4-3-5-7-17)18-8-11-22-24(31-16-33(22)15-18)20-10-9-19(28)14-21(20)29/h3-16,23H,1-2H3,(H,30,32,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5571-4 (2013) Article DOI: 10.1016/j.bmcl.2013.08.049 BindingDB Entry DOI: 10.7270/Q2QC04Z4
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440501 (CHEMBL2426144) Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(cc1)C#N)C(=O)Nc1nncs1 Show InChI InChI=1S/C27H22N6OS/c1-27(2,25(34)31-26-32-30-17-35-26)23(19-6-4-3-5-7-19)21-12-13-22-24(29-16-33(22)15-21)20-10-8-18(14-28)9-11-20/h3-13,15-17,23H,1-2H3,(H,31,32,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5571-4 (2013) Article DOI: 10.1016/j.bmcl.2013.08.049 BindingDB Entry DOI: 10.7270/Q2QC04Z4
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303824 ((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccs1 |r,t:7| Show InChI InChI=1S/C24H25FN2OS/c1-23-14-27-15-26-22(16-8-10-18(25)11-9-16)19(27)13-17(23)5-3-6-20(23)24(2,28)21-7-4-12-29-21/h4,7-13,15,20,28H,3,5-6,14H2,1-2H3/t20-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair

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