Compile Data Set for Download or QSAR

Found 2553 hits with Last Name = 'paidi' and Initial = 'vr'   

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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210188 (US9546153, ex. 308) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CC1 |r| Show InChI InChI=1S/C20H23FN6O2S/c1-20(2,29)15(21)9-23-18(28)12-8-22-17(7-14(12)25-11-3-4-11)26-16-6-5-13-19(27-16)30-10-24-13/h5-8,10-11,15,29H,3-4,9H2,1-2H3,(H,23,28)(H2,22,25,26,27)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.2	25
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50509860 (CHEMBL4442783) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NC(C)=O)N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H33F3N6O2/c1-14(2)33(4)17-6-8-22(21(12-17)31-15(3)35)34-10-9-20(24(34)36)32-23-18-11-16(25(26,27)28)5-7-19(18)29-13-30-23/h5,7,11,13-14,17,20-22H,6,8-10,12H2,1-4H3,(H,31,35)(H,29,30,32)/t17-,20+,21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
TBA					Assay Description Antagonist activity at CCR2 in human THP-1 cells assessed as reduction in CCL2-induced chemotaxis				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00373 BindingDB Entry DOI: 10.7270/Q2M04981
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50557872 (CHEMBL4781426) Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)NC(C)(C)C |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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
TBA					Assay Description Antagonist activity at CCR2 in human THP-1 cells assessed as reduction in CCL2-induced chemotaxis				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00373 BindingDB Entry DOI: 10.7270/Q2M04981
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210606 (US9546153, ex. 455) Show SMILES CC(C)Nc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C20H24F2N6O2S/c1-10(2)26-13-6-16(27-17-12(21)5-14-19(28-17)31-9-25-14)23-7-11(13)18(29)24-8-15(22)20(3,4)30/h5-7,9-10,15,30H,8H2,1-4H3,(H,24,29)(H2,23,26,27,28)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.2	25
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50578294 (Bms 813160 | Bms-813160) Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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
TBA					Assay Description Antagonist activity at CCR2 in human THP-1 cells assessed as reduction in CCL2-induced chemotaxis				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00373 BindingDB Entry DOI: 10.7270/Q2M04981
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187842 (US9169252, 385) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r| Show InChI InChI=1S/C22H22FN9O4S/c1-22(2,34)18(23)11-27-21(33)16-10-25-19(32-20-14(8-29-32)4-13(6-24)7-26-20)5-17(16)30-15-9-28-31(12-15)37(3,35)36/h4-5,7-10,12,18,34H,11H2,1-3H3,(H,25,30)(H,27,33)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50544198 (CHEMBL4636136) Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H26N6O3S2/c1-15(2)29-21-12-23(30-17-5-8-20-22(11-17)34-14-28-20)27-13-19(21)24(31)26-10-9-16-3-6-18(7-4-16)35(25,32)33/h3-8,11-15H,9-10H2,1-2H3,(H,26,31)(H2,25,32,33)(H2,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol Myers Squibb Research Center Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 11: 1402-1409 (2020) Article DOI: 10.1021/acsmedchemlett.0c00082 BindingDB Entry DOI: 10.7270/Q2542S4M
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187742 (US9169252, 293) Show SMILES CC(C)(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r| Show InChI InChI=1S/C22H27FN8O2/c1-21(2,3)30-15-7-17(26-10-14(15)20(32)27-11-16(23)22(4,5)33)31-19-13(9-28-31)6-12(8-24)18(25)29-19/h6-7,9-10,16,33H,11H2,1-5H3,(H2,25,29)(H,26,30)(H,27,32)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187515 (US9169252, 109 | US9169252, 110) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ccc2cc(cnc12)C#N |r| Show InChI InChI=1S/C24H26F2N6O2/c1-24(2,34)20(26)13-30-23(33)18-12-28-21(9-19(18)31-17-4-3-16(25)8-17)32-6-5-15-7-14(10-27)11-29-22(15)32/h5-7,9,11-12,16-17,20,34H,3-4,8,13H2,1-2H3,(H,28,31)(H,30,33)/t16?,17?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187402 (US9169252, 3) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(cnc12)C#N |r| Show InChI InChI=1S/C24H27FN6O3/c1-24(2,33)20(25)14-29-23(32)18-13-27-21(10-19(18)30-17-4-7-34-8-5-17)31-6-3-16-9-15(11-26)12-28-22(16)31/h3,6,9-10,12-13,17,20,33H,4-5,7-8,14H2,1-2H3,(H,27,30)(H,29,32)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187405 (US9169252, 6) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-n1ccc2cc(cnc12)C#N |r| Show InChI InChI=1S/C23H25FN6O2/c1-23(2,32)19(24)13-28-22(31)17-12-26-20(9-18(17)29-16-4-3-5-16)30-7-6-15-8-14(10-25)11-27-21(15)30/h6-9,11-12,16,19,32H,3-5,13H2,1-2H3,(H,26,29)(H,28,31)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210152 (US9546153, ex. 288) Show SMILES CC(C)Nc1cc(Nc2ccn3ncc(F)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C21H26F2N6O2/c1-12(2)27-16-8-19(28-13-5-6-29-17(7-13)15(22)10-26-29)24-9-14(16)20(30)25-11-18(23)21(3,4)31/h5-10,12,18,31H,11H2,1-4H3,(H,25,30)(H2,24,27,28)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	25
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM209424 (US9546153, ex. 116 | US9546153, ex. 117 | US954615...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC1CCCC1F |r| Show InChI InChI=1S/C24H29F2N5O2S/c1-24(2,33)21(26)12-29-23(32)16-11-28-22(9-19(16)27-10-14-4-3-5-17(14)25)31-15-6-7-18-20(8-15)34-13-30-18/h6-9,11,13-14,17,21,33H,3-5,10,12H2,1-2H3,(H,29,32)(H2,27,28,31)/t14?,17?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	25
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210200 (US9546153, ex. 312) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1 |r| Show InChI InChI=1S/C22H27FN6O3S/c1-22(2,31)17(23)11-25-20(30)14-10-24-19(9-16(14)27-13-5-7-32-8-6-13)28-18-4-3-15-21(29-18)33-12-26-15/h3-4,9-10,12-13,17,31H,5-8,11H2,1-2H3,(H,25,30)(H2,24,27,28,29)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	25
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187896 (US9169252, 437) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-n1ccc2cc(cnc12)C#N |r| Show InChI InChI=1S/C22H23FN6O3/c1-22(2,31)18(23)10-27-21(30)16-9-25-19(6-17(16)28-15-11-32-12-15)29-4-3-14-5-13(7-24)8-26-20(14)29/h3-6,8-9,15,18,31H,10-12H2,1-2H3,(H,25,28)(H,27,30)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438455 (US10618903, Example 83 | US10618903, Example 84 | ...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C22H25ClF2N6O2/c1-22(2,33)19(25)10-28-21(32)16-8-26-17(6-18(16)30-14-4-3-13(24)5-14)15-9-29-31-11-12(23)7-27-20(15)31/h6-9,11,13-14,19,33H,3-5,10H2,1-2H3,(H,26,30)(H,28,32)/t13?,14?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438664 (US10618903, Example 231) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C(F)F)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C21H20ClF3N8O2/c1-21(2,35)17(23)8-28-19(34)14-6-26-15(13-7-30-32-9-11(22)4-27-18(13)32)3-16(14)31-12-5-29-33(10-12)20(24)25/h3-7,9-10,17,20,35H,8H2,1-2H3,(H,26,31)(H,28,34)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438665 (US10618903, Example 232) Show SMILES CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1 |r| Show InChI InChI=1S/C22H24ClFN8O2/c1-4-31-12-14(7-28-31)30-18-5-17(15-9-29-32-11-13(23)6-26-20(15)32)25-8-16(18)21(33)27-10-19(24)22(2,3)34/h5-9,11-12,19,34H,4,10H2,1-3H3,(H,25,30)(H,27,33)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438672 (US10618903, Example 239) Show SMILES CC(F)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1 |r| Show InChI InChI=1S/C23H24ClF3N8O2/c1-22(2,37)19(25)9-30-21(36)16-7-28-17(15-8-32-35-10-13(24)5-29-20(15)35)4-18(16)33-14-6-31-34(11-14)12-23(3,26)27/h4-8,10-11,19,37H,9,12H2,1-3H3,(H,28,33)(H,30,36)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438679 (US10618903, Example 246) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C23H24ClFN8O2/c1-23(2,35)20(25)10-28-22(34)17-8-26-18(16-9-30-33-11-13(24)6-27-21(16)33)5-19(17)31-14-7-29-32(12-14)15-3-4-15/h5-9,11-12,15,20,35H,3-4,10H2,1-2H3,(H,26,31)(H,28,34)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438683 (US10618903, Example 250) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCC1)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C24H26ClFN8O2/c1-24(2,36)21(26)11-29-23(35)18-9-27-19(17-10-31-34-12-14(25)7-28-22(17)34)6-20(18)32-15-8-30-33(13-15)16-4-3-5-16/h6-10,12-13,16,21,36H,3-5,11H2,1-2H3,(H,27,32)(H,29,35)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438684 (US10618903, Example 251) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC2CC2)c1)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C24H26ClFN8O2/c1-24(2,36)21(26)10-29-23(35)18-8-27-19(17-9-31-34-12-15(25)6-28-22(17)34)5-20(18)32-16-7-30-33(13-16)11-14-3-4-14/h5-9,12-14,21,36H,3-4,10-11H2,1-2H3,(H,27,32)(H,29,35)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438686 (US10618903, Example 253) Show SMILES CC(C)(O)CCNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnn2cc(Cl)cnc12 Show InChI InChI=1S/C22H23ClF2N8O2/c1-22(2,35)3-4-26-21(34)16-8-27-17(15-9-30-33-10-13(23)6-28-20(15)33)5-18(16)31-14-7-29-32(11-14)12-19(24)25/h5-11,19,35H,3-4,12H2,1-2H3,(H,26,34)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438695 (US10618903, Example 262) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnc2cc(Cl)cnn12 |r| Show InChI InChI=1S/C22H22ClF3N8O2/c1-22(2,36)18(24)9-29-21(35)14-7-27-16(17-8-28-20-3-12(23)5-31-34(17)20)4-15(14)32-13-6-30-33(10-13)11-19(25)26/h3-8,10,18-19,36H,9,11H2,1-2H3,(H,27,32)(H,29,35)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438708 (US10618903, Example 275) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-c1cnc2cc(Cl)cnn12 |r| Show InChI InChI=1S/C22H21ClF4N8O2/c1-21(2,37)18(24)9-30-20(36)14-7-28-16(17-8-29-19-3-12(23)5-32-35(17)19)4-15(14)33-13-6-31-34(10-13)11-22(25,26)27/h3-8,10,18,37H,9,11H2,1-2H3,(H,28,33)(H,30,36)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438711 (US10618903, Example 278) Show SMILES CCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnc3cc(cnn23)C#N)cn1 |r| Show InChI InChI=1S/C24H26FN9O2/c1-4-5-33-14-16(10-30-33)32-18-7-19(20-12-28-22-6-15(8-26)9-31-34(20)22)27-11-17(18)23(35)29-13-21(25)24(2,3)36/h6-7,9-12,14,21,36H,4-5,13H2,1-3H3,(H,27,32)(H,29,35)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438705 (US10618903, Example 272 | US10618903, Example 279) Show SMILES CC(C)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnc3cc(cnn23)C#N)cn1 |r| Show InChI InChI=1S/C25H27F2N9O2/c1-24(2,27)14-35-13-16(9-32-35)34-18-6-19(20-11-30-22-5-15(7-28)8-33-36(20)22)29-10-17(18)23(37)31-12-21(26)25(3,4)38/h5-6,8-11,13,21,38H,12,14H2,1-4H3,(H,29,34)(H,31,37)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438443 (US10618903, Example 71) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C22H22ClF3N8O2/c1-22(2,36)18(24)8-29-21(35)15-6-27-16(14-7-31-34-9-12(23)4-28-20(14)34)3-17(15)32-13-5-30-33(10-13)11-19(25)26/h3-7,9-10,18-19,36H,8,11H2,1-2H3,(H,27,32)(H,29,35)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438484 (US10618903, Example 112) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C(N)=O)-c1cnn2cc(cnc12)C#N |r| Show InChI InChI=1S/C25H23FN8O3/c1-25(2,37)21(26)12-31-24(36)18-10-29-19(17-11-32-34-13-14(8-27)9-30-23(17)34)7-20(18)33-16-5-3-15(4-6-16)22(28)35/h3-7,9-11,13,21,37H,12H2,1-2H3,(H2,28,35)(H,29,33)(H,31,36)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438631 (US10618903, Example 198 | US10618903, Example 207) Show SMILES CC(C)(O)[C@@H](F)CNC(=O)c1cnc(cc1NC1(C)CC1)-c1cnc2cc(Cl)cnn12 |r| Show InChI InChI=1S/C21H24ClFN6O2/c1-20(2,31)17(23)11-26-19(30)13-9-24-15(7-14(13)28-21(3)4-5-21)16-10-25-18-6-12(22)8-27-29(16)18/h6-10,17,31H,4-5,11H2,1-3H3,(H,24,28)(H,26,30)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM388012 (US10294229, Example 160 | US10294229, Example 161) Show SMILES CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCCN(C1)C(C)=O)-n1ncc2cc(cnc12)C#N Show InChI InChI=1S/C24H26N10O/c1-15(2)29-21-8-23(34-24-18(11-28-34)7-17(9-25)10-27-24)26-12-20(21)22-14-33(31-30-22)19-5-4-6-32(13-19)16(3)35/h7-8,10-12,14-15,19H,4-6,13H2,1-3H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				Bioorg Med Chem Lett 18: 6218-21 (2008) BindingDB Entry DOI: 10.7270/Q23N25PW
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM387972 (US10294229, Example 120) Show SMILES CC(C)Nc1cc(ncc1-c1cn(CCc2ccncc2)nn1)-n1ncc2cc(cnc12)C#N Show InChI InChI=1S/C24H22N10/c1-16(2)30-21-10-23(34-24-19(13-29-34)9-18(11-25)12-28-24)27-14-20(21)22-15-33(32-31-22)8-5-17-3-6-26-7-4-17/h3-4,6-7,9-10,12-16H,5,8H2,1-2H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				Bioorg Med Chem Lett 18: 6218-21 (2008) BindingDB Entry DOI: 10.7270/Q23N25PW
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM387980 (US10294229, Example 128) Show SMILES CC(C)Nc1cc(ncc1-c1cn(CCC(C)(C)O)nn1)-n1ncc2cc(cnc12)C#N Show InChI InChI=1S/C22H25N9O/c1-14(2)27-18-8-20(31-21-16(11-26-31)7-15(9-23)10-25-21)24-12-17(18)19-13-30(29-28-19)6-5-22(3,4)32/h7-8,10-14,32H,5-6H2,1-4H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				Bioorg Med Chem Lett 18: 6218-21 (2008) BindingDB Entry DOI: 10.7270/Q23N25PW
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438420 (US10618903, Example 48) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1COC1)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C23H24ClFN8O3/c1-23(2,35)20(25)8-28-22(34)17-6-26-18(16-7-30-33-9-13(24)4-27-21(16)33)3-19(17)31-14-5-29-32(10-14)15-11-36-12-15/h3-7,9-10,15,20,35H,8,11-12H2,1-2H3,(H,26,31)(H,28,34)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM387831 (US10294229, Example 2) Show SMILES CCOC(=O)Cn1cc(nn1)-c1cnc(cc1NC(C)C)-n1ccc2cncnc12 Show InChI InChI=1S/C20H22N8O2/c1-4-30-19(29)11-27-10-17(25-26-27)15-9-22-18(7-16(15)24-13(2)3)28-6-5-14-8-21-12-23-20(14)28/h5-10,12-13H,4,11H2,1-3H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				Bioorg Med Chem Lett 18: 6218-21 (2008) BindingDB Entry DOI: 10.7270/Q23N25PW
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM387860 (US10294229, Example 19) Show SMILES CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCOCC1)-n1ncc2cc(cnc12)C#N Show InChI InChI=1S/C22H23N9O/c1-14(2)27-19-8-21(31-22-16(11-26-31)7-15(9-23)10-25-22)24-12-18(19)20-13-30(29-28-20)17-3-5-32-6-4-17/h7-8,10-14,17H,3-6H2,1-2H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				Bioorg Med Chem Lett 18: 6218-21 (2008) BindingDB Entry DOI: 10.7270/Q23N25PW
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM388276 (US10294229, Example 426) Show SMILES CC(C)Nc1cc(ncc1-c1cc(CCC(C)(C)O)no1)-n1ncc2cc(cnc12)C#N Show InChI InChI=1S/C23H25N7O2/c1-14(2)28-19-9-21(30-22-16(12-27-30)7-15(10-24)11-26-22)25-13-18(19)20-8-17(29-32-20)5-6-23(3,4)31/h7-9,11-14,31H,5-6H2,1-4H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				Bioorg Med Chem Lett 18: 6218-21 (2008) BindingDB Entry DOI: 10.7270/Q23N25PW
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM388282 (US10294229, Example 432) Show SMILES CC(C)Nc1cc(ncc1-c1cc(on1)C1CCCCN1S(C)(=O)=O)-n1ncc2cc(cnc12)C#N Show InChI InChI=1S/C24H26N8O3S/c1-15(2)29-19-10-23(32-24-17(13-28-32)8-16(11-25)12-27-24)26-14-18(19)20-9-22(35-30-20)21-6-4-5-7-31(21)36(3,33)34/h8-10,12-15,21H,4-7H2,1-3H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				Bioorg Med Chem Lett 18: 6218-21 (2008) BindingDB Entry DOI: 10.7270/Q23N25PW
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM388222 (US10294229, Example 371) Show SMILES CC(C)Nc1cc(ncc1-n1cc(CCC(C)(C)O)nn1)-n1ncc2cc(C#N)c(N)nc12 Show InChI InChI=1S/C22H26N10O/c1-13(2)27-17-8-19(32-21-15(10-26-32)7-14(9-23)20(24)28-21)25-11-18(17)31-12-16(29-30-31)5-6-22(3,4)33/h7-8,10-13,33H,5-6H2,1-4H3,(H2,24,28)(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				Bioorg Med Chem Lett 18: 6218-21 (2008) BindingDB Entry DOI: 10.7270/Q23N25PW
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM388226 (US10294229, Example 375) Show SMILES CC(C)(O)CCc1cn(nn1)-c1cnc(cc1N[C@@H]1CCC[C@@H]1F)-n1ncc2cc(cnc12)C#N |r| Show InChI InChI=1S/C24H26FN9O/c1-24(2,35)7-6-17-14-33(32-31-17)21-13-27-22(9-20(21)30-19-5-3-4-18(19)25)34-23-16(12-29-34)8-15(10-26)11-28-23/h8-9,11-14,18-19,35H,3-7H2,1-2H3,(H,27,30)/t18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				Bioorg Med Chem Lett 18: 6218-21 (2008) BindingDB Entry DOI: 10.7270/Q23N25PW
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM388245 (US10294229, Example 395) Show SMILES CCOC(=O)N[C@H]1CC[C@@H](CC1)n1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r,wU:9.12,wD:6.5,(-11.08,-2.86,;-12.17,-1.77,;-11.77,-.28,;-10.29,.12,;-9.89,1.61,;-9.2,-.97,;-7.71,-.57,;-6.62,-1.66,;-5.13,-1.26,;-4.73,.22,;-5.82,1.31,;-7.31,.91,;-3.25,.62,;-2,-.28,;-.75,.62,;-1.23,2.09,;-2.77,2.09,;.58,-.15,;.58,-1.69,;1.91,-2.46,;3.25,-1.69,;3.25,-.15,;1.91,.62,;1.91,2.16,;3.25,2.93,;3.25,4.47,;4.58,2.16,;4.58,-2.46,;4.58,-4,;6.05,-4.47,;6.95,-3.23,;8.48,-3.07,;9.11,-1.66,;8.2,-.41,;6.67,-.57,;6.05,-1.98,;10.64,-1.5,;12.17,-1.34,)| Show InChI InChI=1S/C26H30N10O2/c1-4-38-26(37)32-19-5-7-20(8-6-19)35-15-23(33-34-35)21-14-28-24(10-22(21)31-16(2)3)36-25-18(13-30-36)9-17(11-27)12-29-25/h9-10,12-16,19-20H,4-8H2,1-3H3,(H,28,31)(H,32,37)/t19-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				Bioorg Med Chem Lett 18: 6218-21 (2008) BindingDB Entry DOI: 10.7270/Q23N25PW
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM388257 (US10294229, Example 407 | US10294229, Example 409) Show SMILES CC(C)Nc1cc(ncc1-c1cc(no1)C1CCCN(C1)C(C)=O)-n1ncc2cc(cnc12)C#N Show InChI InChI=1S/C25H26N8O2/c1-15(2)30-22-9-24(33-25-19(12-29-33)7-17(10-26)11-28-25)27-13-20(22)23-8-21(31-35-23)18-5-4-6-32(14-18)16(3)34/h7-9,11-13,15,18H,4-6,14H2,1-3H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				Bioorg Med Chem Lett 18: 6218-21 (2008) BindingDB Entry DOI: 10.7270/Q23N25PW
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187438 (US9169252, 39) Show SMILES CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cncnc12 |r| Show InChI InChI=1S/C20H25FN6O2/c1-12(2)26-15-7-17(27-6-5-13-8-22-11-25-18(13)27)23-9-14(15)19(28)24-10-16(21)20(3,4)29/h5-9,11-12,16,29H,10H2,1-4H3,(H,23,26)(H,24,28)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187861 (US9169252, 404) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cc(n[nH]1)C1CC1)-n1ncc2cc(cnc12)C#N |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187480 (US9169252, 80 | US9169252, 94) Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-7.13,.62,;-5.8,-.15,;-4.46,.62,;-4.46,2.16,;-5.8,2.93,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;2.21,4.47,;3.54,2.16,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)| Show InChI InChI=1S/C25H29N7O2/c1-15(2)30-21-11-22(32-9-8-18-10-16(12-26)13-29-23(18)32)28-14-20(21)25(34)31-19-6-4-17(5-7-19)24(33)27-3/h8-11,13-15,17,19H,4-7H2,1-3H3,(H,27,33)(H,28,30)(H,31,34)/t17-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM188094 (US9169252, 625 | US9169252, 626 | US9169252, 627) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ncc2cc(cnc12)C#N |r| Show InChI InChI=1S/C23H25F2N7O2/c1-23(2,34)19(25)12-29-22(33)17-11-27-20(7-18(17)31-16-4-3-15(24)6-16)32-21-14(10-30-32)5-13(8-26)9-28-21/h5,7,9-11,15-16,19,34H,3-4,6,12H2,1-2H3,(H,27,31)(H,29,33)/t15?,16?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50557872 (CHEMBL4781426) Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)NC(C)(C)C |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxis				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00373 BindingDB Entry DOI: 10.7270/Q2M04981
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50578294 (Bms 813160 | Bms-813160) Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxis				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00373 BindingDB Entry DOI: 10.7270/Q2M04981
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187415 (US9169252, 16) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)C2)-n1ccc2cc(cnc12)C#N |r| Show InChI InChI=1S/C26H29FN6O3/c1-24(2,35)20(27)14-31-23(34)18-13-29-21(33-8-3-17-9-16(11-28)12-30-22(17)33)10-19(18)32-25-4-6-26(36,15-25)7-5-25/h3,8-10,12-13,20,35-36H,4-7,14-15H2,1-2H3,(H,29,32)(H,31,34)/t20-,25?,26?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187416 (US9169252, 17) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1(C)CC1)-n1ccc2cc(cnc12)C#N |r| Show InChI InChI=1S/C23H25FN6O2/c1-22(2,32)18(24)13-28-21(31)16-12-26-19(9-17(16)29-23(3)5-6-23)30-7-4-15-8-14(10-25)11-27-20(15)30/h4,7-9,11-12,18,32H,5-6,13H2,1-3H3,(H,26,29)(H,28,31)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair

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