Compile Data Set for Download or QSAR

Found 377 hits with Last Name = 'polimera' and Initial = 'sr'   

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
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))	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))	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))	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))	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))	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))	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))	BDBM438716 (US10618903, Example 283) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCCF)c1)-c1cnc2cc(Cl)cnn12 |r| Show InChI InChI=1S/C23H25ClF2N8O2/c1-23(2,36)20(26)12-29-22(35)16-10-27-18(19-11-28-21-6-14(24)8-31-34(19)21)7-17(16)32-15-9-30-33(13-15)5-3-4-25/h6-11,13,20,36H,3-5,12H2,1-2H3,(H,27,32)(H,29,35)/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	2	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))	BDBM438717 (US10618903, Example 284) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1cnc2cc(cnn12)C#N |r| Show InChI InChI=1S/C24H24FN9O2/c1-24(2,36)21(25)12-29-23(35)17-10-27-19(20-11-28-22-5-14(7-26)8-31-34(20)22)6-18(17)32-15-9-30-33(13-15)16-3-4-16/h5-6,8-11,13,16,21,36H,3-4,12H2,1-2H3,(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	2	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))	BDBM438719 (US10618903, Example 286) Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1cnc2cc(cnn12)C#N |r,wU:7.10,wD:4.3,(-10.46,1.93,;-9.13,2.69,;-9.13,4.23,;-10.46,3.47,;-7.8,1.93,;-7.8,.38,;-6.46,-.38,;-5.13,.38,;-5.13,1.93,;-6.46,2.69,;-3.8,-.38,;-2.46,.38,;-2.46,1.93,;-1.13,-.38,;-1.13,-1.93,;.21,-2.69,;1.54,-1.93,;1.54,-.38,;.21,.38,;.21,1.93,;1.54,2.69,;1.54,4.23,;3,4.71,;3.91,3.47,;3,2.22,;5.45,3.47,;6.78,2.69,;6.78,4.23,;2.87,-2.69,;2.87,-4.23,;4.34,-4.71,;5.24,-3.47,;6.77,-3.3,;7.4,-1.9,;6.5,-.65,;4.96,-.81,;4.34,-2.22,;8.93,-1.74,;10.46,-1.58,)| Show InChI InChI=1S/C28H31N9O2/c1-28(2,39)18-3-5-19(6-4-18)35-27(38)22-14-30-24(25-15-31-26-9-17(11-29)12-33-37(25)26)10-23(22)34-20-13-32-36(16-20)21-7-8-21/h9-10,12-16,18-19,21,39H,3-8H2,1-2H3,(H,30,34)(H,35,38)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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))	BDBM438515 (US10618903, Example 143) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-c1cnc2cc(Cl)cnn12 |r| Show InChI InChI=1S/C22H26ClFN6O3/c1-22(2,32)19(24)12-27-21(31)15-10-25-17(8-16(15)29-14-3-5-33-6-4-14)18-11-26-20-7-13(23)9-28-30(18)20/h7-11,14,19,32H,3-6,12H2,1-2H3,(H,25,29)(H,27,31)/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	2	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))	BDBM438517 (US10618903, Example 145) Show SMILES CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2cc(cnn12)C#N |r| Show InChI InChI=1S/C21H24FN7O2/c1-12(2)28-15-6-16(17-10-25-19-5-13(7-23)8-27-29(17)19)24-9-14(15)20(30)26-11-18(22)21(3,4)31/h5-6,8-10,12,18,31H,11H2,1-4H3,(H,24,28)(H,26,30)/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	2	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))	BDBM438518 (US10618903, Example 146) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-c1cnc2cc(cnn12)C#N |r| Show InChI InChI=1S/C23H26FN7O3/c1-23(2,33)20(24)13-28-22(32)16-11-26-18(8-17(16)30-15-3-5-34-6-4-15)19-12-27-21-7-14(9-25)10-29-31(19)21/h7-8,10-12,15,20,33H,3-6,13H2,1-2H3,(H,26,30)(H,28,32)/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	2	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))	BDBM438447 (US10618903, Example 75 | US10618903, Example 76) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC(C1)C2)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C22H24ClFN6O2/c1-21(2,32)18(24)10-27-20(31)15-8-25-16(3-17(15)29-22-4-12(5-22)6-22)14-9-28-30-11-13(23)7-26-19(14)30/h3,7-9,11-12,18,32H,4-6,10H2,1-2H3,(H,25,29)(H,27,31)/t12?,18-,22?/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	2	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))	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	2	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))	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	2	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))	BDBM438379 ((R)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2...) Show SMILES CC(C)(CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C21H26ClFN6O3/c1-20(2,11-30)28-16-5-15(13-8-27-29-10-12(22)6-25-18(13)29)24-7-14(16)19(31)26-9-17(23)21(3,4)32/h5-8,10,17,30,32H,9,11H2,1-4H3,(H,24,28)(H,26,31)/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	2	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))	BDBM438459 (US10618903, Example 127 | US10618903, Example 87) Show SMILES CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(cnc12)C#N |r| Show InChI InChI=1S/C21H24FN7O2/c1-12(2)28-17-5-16(14-9-27-29-11-13(6-23)7-25-19(14)29)24-8-15(17)20(30)26-10-18(22)21(3,4)31/h5,7-9,11-12,18,31H,10H2,1-4H3,(H,24,28)(H,26,30)/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	2	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))	BDBM438468 (US10618903, Example 96) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-c1cnn2cc(cnc12)C#N |r| Show InChI InChI=1S/C22H24FN7O2/c1-22(2,32)19(23)11-27-21(31)16-9-25-17(6-18(16)29-14-4-3-5-14)15-10-28-30-12-13(7-24)8-26-20(15)30/h6,8-10,12,14,19,32H,3-5,11H2,1-2H3,(H,25,29)(H,27,31)/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	2	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))	BDBM438635 (US10618903, Example 202) Show SMILES CC[C@@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2cc(Cl)cnn12 |r| Show InChI InChI=1S/C21H26ClFN6O2/c1-5-12(2)28-15-7-16(17-10-25-19-6-13(22)8-27-29(17)19)24-9-14(15)20(30)26-11-18(23)21(3,4)31/h6-10,12,18,31H,5,11H2,1-4H3,(H,24,28)(H,26,30)/t12-,18-/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	2	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))	BDBM438637 (US10618903, Example 204) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)C(C)(C)O)-c1cnc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.24,(-7.69,.83,;-8.46,-.51,;-9.23,.83,;-9.8,-1.28,;-7.13,-1.28,;-7.13,-2.82,;-5.8,-.51,;-4.46,-1.28,;-3.13,-.51,;-3.13,1.03,;-1.79,-1.28,;-1.79,-2.82,;-.46,-3.59,;.87,-2.82,;.87,-1.28,;-.46,-.51,;-.46,1.03,;.87,1.8,;.87,3.34,;2.21,4.11,;3.54,3.34,;3.54,1.8,;2.21,1.03,;4.87,4.11,;6.21,3.34,;4.47,5.6,;6.21,4.88,;2.21,-3.59,;2.21,-5.13,;3.67,-5.6,;4.58,-4.36,;6.11,-4.19,;6.73,-2.79,;5.83,-1.54,;4.3,-1.7,;3.67,-3.11,;8.27,-2.63,;9.8,-2.47,)| Show InChI InChI=1S/C27H34FN7O3/c1-26(2,37)17-5-7-18(8-6-17)34-20-10-21(22-14-31-24-9-16(11-29)12-33-35(22)24)30-13-19(20)25(36)32-15-23(28)27(3,4)38/h9-10,12-14,17-18,23,37-38H,5-8,15H2,1-4H3,(H,30,34)(H,32,36)/t17-,18-,23-/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	2	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	2	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))	BDBM438644 (US10618903, Example 211) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCC(F)F)-c1cnc2cc(cnn12)C#N |r| Show InChI InChI=1S/C21H22F3N7O2/c1-21(2,33)17(22)11-29-20(32)13-9-27-15(6-14(13)26-4-3-18(23)24)16-10-28-19-5-12(7-25)8-30-31(16)19/h5-6,8-10,17-18,33H,3-4,11H2,1-2H3,(H,26,27)(H,29,32)/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	2	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))	BDBM438646 (US10618903, Example 213) Show SMILES CC(C)Nc1cc(ncc1C(=O)NCCc1cccs1)-c1cnc2cc(cnn12)C#N Show InChI InChI=1S/C22H21N7OS/c1-14(2)28-18-9-19(20-13-26-21-8-15(10-23)11-27-29(20)21)25-12-17(18)22(30)24-6-5-16-4-3-7-31-16/h3-4,7-9,11-14H,5-6H2,1-2H3,(H,24,30)(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	2	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))	BDBM438650 (US10618903, Example 217) Show SMILES CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCCC1)-c1cnc2cc(cnn12)C#N Show InChI InChI=1S/C23H27N7O2/c1-15(2)29-18-10-19(20-14-27-21-9-16(11-24)12-28-30(20)21)26-13-17(18)22(31)25-8-7-23(32)5-3-4-6-23/h9-10,12-15,32H,3-8H2,1-2H3,(H,25,31)(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	2	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))	BDBM438658 (US10618903, Example 225) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn(CC(F)F)c1)-c1cnn2cc(cnc12)C#N |r| Show InChI InChI=1S/C24H23F3N8O2/c1-24(2,37)20(25)10-31-23(36)17-8-29-18(16-9-32-35-11-14(6-28)7-30-22(16)35)5-19(17)33-15-3-4-34(12-15)13-21(26)27/h3-5,7-9,11-12,20-21,37H,10,13H2,1-2H3,(H,29,33)(H,31,36)/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	2	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))	BDBM438660 (US10618903, Example 227) Show SMILES CC(C)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1 |r| Show InChI InChI=1S/C24H27ClF2N8O2/c1-23(2,27)13-34-12-15(7-31-34)33-19-5-18(16-9-32-35-11-14(25)6-29-21(16)35)28-8-17(19)22(36)30-10-20(26)24(3,4)37/h5-9,11-12,20,37H,10,13H2,1-4H3,(H,28,33)(H,30,36)/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	2	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))	BDBM438661 (US10618903, Example 228) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn(CC(F)F)c1)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C23H23ClF3N7O2/c1-23(2,36)19(25)9-30-22(35)16-7-28-17(15-8-31-34-10-13(24)6-29-21(15)34)5-18(16)32-14-3-4-33(11-14)12-20(26)27/h3-8,10-11,19-20,36H,9,12H2,1-2H3,(H,28,32)(H,30,35)/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	2	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))	BDBM438668 (US10618903, Example 235) Show SMILES CC(C)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(cnc23)C#N)cn1 |r| Show InChI InChI=1S/C25H27F2N9O2/c1-24(2,27)14-35-13-16(8-32-35)34-20-5-19(17-10-33-36-12-15(6-28)7-30-22(17)36)29-9-18(20)23(37)31-11-21(26)25(3,4)38/h5,7-10,12-13,21,38H,11,14H2,1-4H3,(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	2	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))	BDBM438659 (US10618903, Example 226 | US10618903, Example 237) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C22H21ClF4N8O2/c1-21(2,37)18(24)8-30-20(36)15-6-28-16(14-7-32-35-9-12(23)4-29-19(14)35)3-17(15)33-13-5-31-34(10-13)11-22(25,26)27/h3-7,9-10,18,37H,8,11H2,1-2H3,(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	2	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))	BDBM438671 (US10618903, Example 238) Show SMILES CC(F)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(cnc23)C#N)cn1 |r| Show InChI InChI=1S/C24H24F3N9O2/c1-23(2,38)20(25)10-31-22(37)17-8-29-18(16-9-33-36-11-14(5-28)6-30-21(16)36)4-19(17)34-15-7-32-35(12-15)13-24(3,26)27/h4,6-9,11-12,20,38H,10,13H2,1-3H3,(H,29,34)(H,31,37)/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	2	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))	BDBM438673 (US10618903, Example 240) Show SMILES Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(cnc23)C#N)cn1 |r| Show InChI InChI=1S/C22H22FN9O2/c1-22(2,34)19(23)10-27-21(33)16-8-25-17(4-18(16)30-14-7-28-31(3)12-14)15-9-29-32-11-13(5-24)6-26-20(15)32/h4,6-9,11-12,19,34H,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	2	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))	BDBM438669 (US10618903, Example 236 | US10618903, Example 241) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-c1cnn2cc(cnc12)C#N |r| Show InChI InChI=1S/C23H21F4N9O2/c1-22(2,38)19(24)9-31-21(37)16-7-29-17(15-8-33-36-10-13(4-28)5-30-20(15)36)3-18(16)34-14-6-32-35(11-14)12-23(25,26)27/h3,5-8,10-11,19,38H,9,12H2,1-2H3,(H,29,34)(H,31,37)/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	2	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))	BDBM438675 (US10618903, Example 242) Show SMILES COCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1 |r| Show InChI InChI=1S/C23H26ClFN8O3/c1-23(2,35)20(25)11-28-22(34)17-9-26-18(16-10-30-33-12-14(24)7-27-21(16)33)6-19(17)31-15-8-29-32(13-15)4-5-36-3/h6-10,12-13,20,35H,4-5,11H2,1-3H3,(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	2	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))	BDBM438680 (US10618903, Example 247) Show SMILES CC(C)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1 |r| Show InChI InChI=1S/C24H28ClFN8O2/c1-14(2)11-33-13-16(7-30-33)32-20-5-19(17-9-31-34-12-15(25)6-28-22(17)34)27-8-18(20)23(35)29-10-21(26)24(3,4)36/h5-9,12-14,21,36H,10-11H2,1-4H3,(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	2	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))	BDBM438681 (US10618903, Example 248) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1cnn2cc(cnc12)C#N |r| Show InChI InChI=1S/C24H24FN9O2/c1-24(2,36)21(25)11-29-23(35)18-9-27-19(17-10-31-34-12-14(6-26)7-28-22(17)34)5-20(18)32-15-8-30-33(13-15)16-3-4-16/h5,7-10,12-13,16,21,36H,3-4,11H2,1-2H3,(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	2	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))	BDBM438682 (US10618903, Example 249) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC2CC2)c1)-c1cnn2cc(cnc12)C#N |r| Show InChI InChI=1S/C25H26FN9O2/c1-25(2,37)22(26)11-30-24(36)19-9-28-20(18-10-32-35-13-16(6-27)7-29-23(18)35)5-21(19)33-17-8-31-34(14-17)12-15-3-4-15/h5,7-10,13-15,22,37H,3-4,11-12H2,1-2H3,(H,28,33)(H,30,36)/t22-/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	2	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))	BDBM438687 (US10618903, Example 254) Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1cnn2cc(Cl)cnc12 |r,wU:4.3,wD:7.10,(-9.7,1.93,;-8.36,2.69,;-8.36,4.23,;-9.7,3.47,;-7.03,1.93,;-5.7,2.69,;-4.36,1.93,;-4.36,.38,;-5.7,-.38,;-7.03,.38,;-3.03,-.38,;-1.7,.38,;-1.7,1.93,;-.36,-.38,;-.36,-1.93,;.97,-2.69,;2.31,-1.93,;2.31,-.38,;.97,.38,;.97,1.93,;2.31,2.69,;2.31,4.23,;3.77,4.71,;4.67,3.47,;3.77,2.22,;6.21,3.47,;7.55,2.69,;7.55,4.23,;3.64,-2.69,;3.64,-4.23,;5.1,-4.71,;6.01,-3.47,;7.54,-3.3,;8.17,-1.9,;9.7,-1.74,;7.26,-.65,;5.73,-.81,;5.1,-2.22,)| Show InChI InChI=1S/C27H31ClN8O2/c1-27(2,38)16-3-5-18(6-4-16)34-26(37)22-12-29-23(21-13-32-36-14-17(28)10-30-25(21)36)9-24(22)33-19-11-31-35(15-19)20-7-8-20/h9-16,18,20,38H,3-8H2,1-2H3,(H,29,33)(H,34,37)/t16-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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))	BDBM438691 ((R)-6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-(2,3...) Show SMILES CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnc2cc(cnn12)C#N |r| Show InChI InChI=1S/C23H21F4N9O/c1-23(2,27)19(24)10-31-22(37)15-8-29-17(18-9-30-21-3-13(5-28)6-33-36(18)21)4-16(15)34-14-7-32-35(11-14)12-20(25)26/h3-4,6-9,11,19-20H,10,12H2,1-2H3,(H,29,34)(H,31,37)/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	2	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))	BDBM438692 ((R)-6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-4-((1-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CC(F)(F)C1)-c1cnc2cc(cnn12)C#N |r| Show InChI InChI=1S/C25H24F3N9O2/c1-24(2,39)21(26)12-32-23(38)17-10-30-19(20-11-31-22-3-14(7-29)8-34-37(20)22)4-18(17)35-15-9-33-36(13-15)16-5-25(27,28)6-16/h3-4,8-11,13,16,21,39H,5-6,12H2,1-2H3,(H,30,35)(H,32,38)/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	2	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

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