Compile Data Set for Download or QSAR

Found 193 hits with Last Name = 'tahtaoui' and Initial = 'c'   

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
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50151212 (CHEMBL2368393 | difluoro(2-{[(2Z)-1-methyl-5-[2-({...) Show SMILES F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCCCCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12 |c:17,t:15,59| Show InChI InChI=1S/C40H43BF2N8O3S/c42-41(43)50-29(13-14-30(50)27-31-15-17-35(51(31)41)36-12-8-26-55-36)16-18-37(52)44-19-5-1-2-6-21-47-22-24-48(25-23-47)28-38(53)49-34-11-4-3-9-32(34)40(54)46-33-10-7-20-45-39(33)49/h3-4,7-15,17,20,26-27H,1-2,5-6,16,18-19,21-25,28H2,(H,44,52)(H,46,54)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Inhibition of [3H]QNB binding to human muscarinic receptor M1				J Med Chem 47: 4300-15 (2004) Article DOI: 10.1021/jm040800a BindingDB Entry DOI: 10.7270/Q2T43TVQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50151218 (CHEMBL2368392 | difluoro(2-{[(2Z)-1-methyl-5-(2-{[...) Show SMILES F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCOCCOCCOCCOCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12 |c:17,t:15,73| Show InChI InChI=1S/C48H59BF2N8O9S/c50-49(51)58-37(9-10-38(58)35-39-11-13-43(59(39)49)44-8-4-34-69-44)12-14-45(60)52-16-22-63-24-26-65-28-30-67-32-33-68-31-29-66-27-25-64-23-21-55-17-19-56(20-18-55)36-46(61)57-42-7-2-1-5-40(42)48(62)54-41-6-3-15-53-47(41)57/h1-11,13,15,34-35H,12,14,16-33,36H2,(H,52,60)(H,54,62)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Inhibition of [3H]QNB binding to human muscarinic receptor M1				J Med Chem 47: 4300-15 (2004) Article DOI: 10.1021/jm040800a BindingDB Entry DOI: 10.7270/Q2T43TVQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	23.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Displacement of [3H]QNB from EGFP(delta17)human M1 receptor expressed in HEK cells				J Med Chem 48: 7847-59 (2005) Article DOI: 10.1021/jm050459+ BindingDB Entry DOI: 10.7270/Q2TB16GN
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Inhibition of [3H]QNB binding to human muscarinic receptor M1				J Med Chem 47: 4300-15 (2004) Article DOI: 10.1021/jm040800a BindingDB Entry DOI: 10.7270/Q2T43TVQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50178133 (1-ethyl-2-[(1E,3E)-3-(1-ethylquinolin-2-(1H)-ylide...) Show SMILES CCN1\C(=C\C=C\c2ccc3cc(NC(=O)CCCCC(=O)NCCOCCOCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc56)CC4)ccc3[n+]2CC)C=Cc2ccccc12 |c:68| Show InChI InChI=1S/C55H63N9O6/c1-3-62-44(25-22-41-13-5-7-18-48(41)62)14-11-15-45-26-23-42-39-43(24-27-49(42)63(45)4-2)58-52(66)21-10-9-20-51(65)56-29-35-69-37-38-70-36-34-60-30-32-61(33-31-60)40-53(67)64-50-19-8-6-16-46(50)55(68)59-47-17-12-28-57-54(47)64/h5-8,11-19,22-28,39H,3-4,9-10,20-21,29-38,40H2,1-2H3,(H2-,56,58,59,65,66,68)/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	29.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Displacement of [3H]QNB from EGFP(delta17)human M1 receptor expressed in HEK cells				J Med Chem 48: 7847-59 (2005) Article DOI: 10.1021/jm050459+ BindingDB Entry DOI: 10.7270/Q2TB16GN
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50151214 (CHEMBL2368390 | difluoro(2-{[(2Z)-1-methyl-5-[2-({...) Show SMILES F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12 |c:17,t:15,61| Show InChI InChI=1S/C40H43BF2N8O5S/c42-41(43)50-29(9-10-30(50)27-31-11-13-35(51(31)41)36-8-4-26-57-36)12-14-37(52)44-16-22-55-24-25-56-23-21-47-17-19-48(20-18-47)28-38(53)49-34-7-2-1-5-32(34)40(54)46-33-6-3-15-45-39(33)49/h1-11,13,15,26-27H,12,14,16-25,28H2,(H,44,52)(H,46,54)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Inhibition of [3H]QNB binding to human muscarinic receptor M1				J Med Chem 47: 4300-15 (2004) Article DOI: 10.1021/jm040800a BindingDB Entry DOI: 10.7270/Q2T43TVQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50178130 (CHEMBL220095 | RR(17)PZ) Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |(32.33,-2.99,;31.57,-4.32,;32.34,-5.66,;33.88,-5.65,;34.65,-4.31,;31.58,-6.99,;30.04,-7,;29.29,-8.32,;30.05,-9.64,;29.27,-10.98,;27.73,-10.98,;27.75,-12.52,;26.43,-13.3,;25.09,-12.54,;25.07,-11.01,;26.39,-10.22,;26.36,-8.68,;26.35,-7.14,;24.82,-8.7,;27.9,-8.67,;23.77,-13.32,;24.55,-14.65,;22.99,-11.99,;22.44,-14.1,;21.1,-13.34,;19.77,-14.12,;18.43,-13.36,;17.11,-14.14,;15.77,-13.38,;14.44,-14.16,;14.45,-15.7,;13.1,-13.4,;11.77,-14.18,;10.43,-13.42,;9.1,-14.2,;7.77,-13.44,;6.44,-14.21,;5.1,-13.45,;3.77,-14.23,;2.43,-13.47,;1.1,-14.25,;1.11,-15.79,;-.21,-16.57,;-1.54,-15.81,;-2.87,-16.59,;-2.85,-18.13,;-1.51,-18.89,;-4.18,-18.92,;-5.56,-18.23,;-5.43,-16.71,;-6.7,-15.83,;-8.09,-16.49,;-8.21,-18.02,;-6.95,-18.89,;-7.31,-20.38,;-8.81,-20.71,;-6.36,-21.6,;-4.82,-21.61,;-4.27,-23.05,;-2.75,-23.29,;-1.78,-22.09,;-2.33,-20.66,;-3.84,-20.42,;-1.57,-14.27,;-.24,-13.49,;30.05,-12.3,;29.27,-13.63,;30.04,-14.97,;31.59,-14.97,;32.36,-13.64,;31.6,-12.31,;32.36,-10.97,;31.58,-9.64,;32.34,-8.32,;32.36,-16.31,;31.59,-17.64,;32.36,-18.97,;33.9,-16.31,;34.67,-17.64,)| Show InChI InChI=1S/C57H71N9O11S2/c1-5-64(6-2)41-19-22-45-50(37-41)77-51-38-42(65(7-3)8-4)20-23-46(51)55(45)47-24-21-43(39-52(47)79(72,73)74)78(70,71)60-26-13-9-10-18-53(67)58-27-33-75-35-36-76-34-32-62-28-30-63(31-29-62)40-54(68)66-49-17-12-11-15-44(49)57(69)61-48-16-14-25-59-56(48)66/h11-12,14-17,19-25,37-39,60H,5-10,13,18,26-36,40H2,1-4H3,(H2-,58,61,67,69,72,73,74)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Displacement of [3H]QNB from EGFP(delta17)human M1 receptor expressed in HEK cells				J Med Chem 48: 7847-59 (2005) Article DOI: 10.1021/jm050459+ BindingDB Entry DOI: 10.7270/Q2TB16GN
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50151215 (2-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthe...) Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)N(C)CCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |(17.71,10.63,;16.39,9.86,;16.39,8.32,;17.71,7.55,;19.06,8.32,;15.07,7.55,;15.07,6.01,;13.74,5.24,;12.39,6.01,;11.07,5.24,;11.07,3.7,;12.39,2.93,;12.39,1.39,;11.03,.65,;9.71,1.43,;9.71,2.96,;8.22,3.37,;6.9,2.6,;8.22,1.84,;6.9,4.15,;11.03,-.91,;9.49,-.91,;12.55,-.91,;10.24,-2.24,;10.23,-3.77,;8.76,-1.83,;7.4,-2.6,;6.08,-1.83,;4.74,-2.57,;3.4,-1.81,;2.06,-2.57,;2.06,-4.12,;.72,-1.81,;-.62,-1.04,;-1.97,-1.79,;-3.29,-1.03,;-4.62,-1.79,;-5.97,-1,;-7.3,-1.79,;-8.65,-2.56,;-9.97,-1.77,;-11.29,-2.53,;-12.69,-1.79,;-13.98,-2.57,;-13.97,-4.1,;-15.29,-4.91,;-15.26,-6.45,;-14.18,-7.52,;-16.61,-7.26,;-17.89,-6.39,;-17.56,-4.87,;-18.68,-3.84,;-20.14,-4.3,;-20.46,-5.83,;-19.34,-6.86,;-19.89,-8.26,;-21.45,-8.25,;-19.12,-9.61,;-17.6,-9.83,;-17.24,-11.34,;-15.78,-11.77,;-14.67,-10.7,;-15,-9.21,;-16.5,-8.76,;-12.62,-4.87,;-11.29,-4.08,;9.75,6.01,;8.43,5.24,;7.07,6.01,;7.07,7.55,;8.43,8.32,;9.75,7.55,;11.07,8.32,;12.39,7.55,;13.74,8.32,;5.58,7.95,;5.58,9.51,;4.25,10.3,;4.26,7.2,;2.76,7.59,)| Show InChI InChI=1S/C58H73N9O11S2/c1-6-65(7-2)42-20-23-46-51(38-42)78-52-39-43(66(8-3)9-4)21-24-47(52)56(46)48-25-22-44(40-53(48)80(73,74)75)79(71,72)62(5)28-14-10-11-19-54(68)59-27-34-76-36-37-77-35-33-63-29-31-64(32-30-63)41-55(69)67-50-18-13-12-16-45(50)58(70)61-49-17-15-26-60-57(49)67/h12-13,15-18,20-26,38-40H,6-11,14,19,27-37,41H2,1-5H3,(H2-,59,61,68,70,73,74,75)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Inhibition of [3H]QNB binding to human muscarinic receptor M1				J Med Chem 47: 4300-15 (2004) Article DOI: 10.1021/jm040800a BindingDB Entry DOI: 10.7270/Q2T43TVQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50151216 (CHEMBL2368391 | difluoro(2-{[(2Z)-1-methyl-5-{2-[(...) Show SMILES F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12 |c:17,t:15,73| Show InChI InChI=1S/C50H61BF2N10O5S/c52-51(53)62-37(19-20-38(62)35-39-21-23-43(63(39)51)44-16-12-34-69-44)22-24-47(66)56-26-8-2-4-17-45(64)54-25-7-1-3-18-46(65)55-27-9-10-29-59-30-32-60(33-31-59)36-48(67)61-42-15-6-5-13-40(42)50(68)58-41-14-11-28-57-49(41)61/h5-6,11-16,19-21,23,28,34-35H,1-4,7-10,17-18,22,24-27,29-33,36H2,(H,54,64)(H,55,65)(H,56,66)(H,58,68)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Inhibition of [3H]QNB binding to human muscarinic receptor M1				J Med Chem 47: 4300-15 (2004) Article DOI: 10.1021/jm040800a BindingDB Entry DOI: 10.7270/Q2T43TVQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50178128 (Bo(15)PZ | CHEMBL198982) Show SMILES F[B-]1(F)n2c(CCC(=O)NCCCCCC(=O)NCCCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)ccc2C=C2C=CC(c3cccs3)=[N+]12 |c:57,t:55,65| Show InChI InChI=1S/C44H50BF2N9O4S/c46-45(47)55-32(15-16-33(55)30-34-17-19-38(56(34)45)39-13-9-29-61-39)18-20-41(58)49-21-5-1-2-14-40(57)48-22-6-7-24-52-25-27-53(28-26-52)31-42(59)54-37-12-4-3-10-35(37)44(60)51-36-11-8-23-50-43(36)54/h3-4,8-13,15-17,19,23,29-30H,1-2,5-7,14,18,20-22,24-28,31H2,(H,48,57)(H,49,58)(H,51,60)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Displacement of [3H]QNB from EGFP(delta17)human M1 receptor expressed in HEK cells				J Med Chem 48: 7847-59 (2005) Article DOI: 10.1021/jm050459+ BindingDB Entry DOI: 10.7270/Q2TB16GN
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50151213 (CHEMBL365702 | difluoro(2-{[(2Z)-1-methyl-5-(2-{[5...) Show SMILES C[N+]1=C(CCC(=O)NCCCCCC(=O)NCCCCN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc34)CC2)C=C\C1=C\c1ccc(-c2cccs2)n1[BH-](F)F |c:1,49| Show InChI InChI=1S/C45H54BF2N9O4S/c1-53-33(16-17-34(53)31-35-18-20-39(57(35)46(47)48)40-14-10-30-62-40)19-21-42(59)50-22-6-2-3-15-41(58)49-23-7-8-25-54-26-28-55(29-27-54)32-43(60)56-38-13-5-4-11-36(38)45(61)52-37-12-9-24-51-44(37)56/h4-5,9-14,16-18,20,24,30-31,46H,2-3,6-8,15,19,21-23,25-29,32H2,1H3,(H,49,58)(H,50,59)(H,52,61)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Inhibition of [3H]QNB binding to human muscarinic receptor M1				J Med Chem 47: 4300-15 (2004) Article DOI: 10.1021/jm040800a BindingDB Entry DOI: 10.7270/Q2T43TVQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50151219 ((2E)-2-[(2E)-3-[3,3-dimethyl-1-(5-{[2-(2-{2-[4-(2-...) Show SMILES CCN1\C(=C\C=C\C2N(CCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O Show InChI InChI=1S/C55H70N8O11S2/c1-6-61-46-22-20-39(75(67,68)69)36-42(46)54(2,3)48(61)17-12-18-49-55(4,5)43-37-40(76(70,71)72)21-23-47(43)62(49)26-11-7-8-19-50(64)56-25-32-73-34-35-74-33-31-59-27-29-60(30-28-59)38-51(65)63-45-16-10-9-14-41(45)53(66)58-44-15-13-24-57-52(44)63/h9-10,12-18,20-24,36-37,49H,6-8,11,19,25-35,38H2,1-5H3,(H,56,64)(H,58,66)(H,67,68,69)(H,70,71,72)/p-2/b18-12+,48-17+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Inhibition of [3H]QNB binding to human muscarinic receptor M1				J Med Chem 47: 4300-15 (2004) Article DOI: 10.1021/jm040800a BindingDB Entry DOI: 10.7270/Q2T43TVQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50178129 (2-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclo...) Show SMILES CCN(CC)c1ccc(cc1)[C+](c1ccc(cc1)N(CC)CC)c1ccc(cc1S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCOCCOCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C57H73N9O10S2/c1-5-64(6-2)45-23-19-43(20-24-45)55(44-21-25-46(26-22-44)65(7-3)8-4)49-28-27-47(41-52(49)78(72,73)74)77(70,71)60-30-13-9-10-18-53(67)58-31-37-75-39-40-76-38-36-62-32-34-63(35-33-62)42-54(68)66-51-17-12-11-15-48(51)57(69)61-50-16-14-29-59-56(50)66/h11-12,14-17,19-29,41,60H,5-10,13,18,30-40,42H2,1-4H3,(H2-,58,61,67,69,72,73,74)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Displacement of [3H]QNB from EGFP(delta17)human M1 receptor expressed in HEK cells				J Med Chem 48: 7847-59 (2005) Article DOI: 10.1021/jm050459+ BindingDB Entry DOI: 10.7270/Q2TB16GN
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50151211 (2,2-difluoro-12-[2-(methylcarbamoyl)ethyl]-4-(thio...) Show SMILES CNC(=O)CCC1=[N+]2C(C=C1)=Cc1ccc(-c3cccs3)n1[B-]2(F)F |c:9,11,t:6| Show InChI InChI=1S/C17H16BF2N3OS/c1-21-17(24)9-7-12-4-5-13-11-14-6-8-15(16-3-2-10-25-16)23(14)18(19,20)22(12)13/h2-6,8,10-11H,7,9H2,1H3,(H,21,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Inhibition of [3H]QNB binding to human muscarinic receptor M1				J Med Chem 47: 4300-15 (2004) Article DOI: 10.1021/jm040800a BindingDB Entry DOI: 10.7270/Q2T43TVQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50151217 (CHEMBL2368394 | difluoro(2-{[(2Z)-1-methyl-5-[2-({...) Show SMILES F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12 |c:17,t:15,55| Show InChI InChI=1S/C36H35BF2N8O3S/c38-37(39)46-25(9-10-26(46)23-27-11-13-31(47(27)37)32-8-4-22-51-32)12-14-33(48)40-16-17-43-18-20-44(21-19-43)24-34(49)45-30-7-2-1-5-28(30)36(50)42-29-6-3-15-41-35(29)45/h1-11,13,15,22-23H,12,14,16-21,24H2,(H,40,48)(H,42,50)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Inhibition of [3H]QNB binding to human muscarinic receptor M1				J Med Chem 47: 4300-15 (2004) Article DOI: 10.1021/jm040800a BindingDB Entry DOI: 10.7270/Q2T43TVQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50178131 (6-[(5-carboxypentanoyl)amino]-1-ethyl-2-[(1E,3E)-3...) Show SMILES CCN1\C(=C\C=C\c2ccc3cc(NC(=O)CCCCC(O)=O)ccc3[n+]2CC)C=Cc2ccccc12 |c:31| Show InChI InChI=1S/C31H33N3O3/c1-3-33-26(19-16-23-10-5-6-13-28(23)33)11-9-12-27-20-17-24-22-25(18-21-29(24)34(27)4-2)32-30(35)14-7-8-15-31(36)37/h5-6,9-13,16-22H,3-4,7-8,14-15H2,1-2H3,(H-,32,35,36,37)/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Displacement of [3H]QNB from EGFP(delta17)human M1 receptor expressed in HEK cells				J Med Chem 48: 7847-59 (2005) Article DOI: 10.1021/jm050459+ BindingDB Entry DOI: 10.7270/Q2TB16GN
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50178132 (CHEMBL370564 | {4-[[4-(5-carboxy-pentylsulfamoyl)-...) Show SMILES CCN(CC)c1ccc(cc1)[C+](c1ccc(cc1)N(CC)CC)c1ccc(cc1S([O-])(=O)=O)S(=O)(=O)NCCCCCC(O)=O Show InChI InChI=1S/C33H43N3O7S2/c1-5-35(6-2)27-17-13-25(14-18-27)33(26-15-19-28(20-16-26)36(7-3)8-4)30-22-21-29(24-31(30)45(41,42)43)44(39,40)34-23-11-9-10-12-32(37)38/h13-22,24,34H,5-12,23H2,1-4H3,(H-,37,38,41,42,43)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Displacement of [3H]QNB from EGFP(delta17)human M1 receptor expressed in HEK cells				J Med Chem 48: 7847-59 (2005) Article DOI: 10.1021/jm050459+ BindingDB Entry DOI: 10.7270/Q2TB16GN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM270876 (US10059709, 22) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.75,2.78,;4.41,2.01,;3.08,2.78,;3.85,4.12,;2.31,1.45,;1.75,3.55,;.41,2.78,;-.92,3.55,;-2.26,2.78,;-2.26,1.24,;-.92,.47,;.41,1.24,;-3.59,.47,;-5.12,.63,;-5.75,-.77,;-4.6,-1.81,;-4.6,-3.35,;-3.27,-4.12,;-1.93,-3.35,;-.47,-3.82,;.43,-2.58,;-.47,-1.33,;-1.93,-1.81,;-3.27,-1.04,)| Show InChI InChI=1S/C16H21N5O2S/c1-17-24(22,23)9-11-2-4-12(5-3-11)21-10-20-14-8-19-16-13(15(14)21)6-7-18-16/h6-8,10-12,17H,2-5,9H2,1H3,(H,18,19)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM410174 (US10370375, Example 22) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)n1cnc2cnc3[nH]ccc3c12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.62,1.79,;-4.25,.38,;-2.96,-.73,;-2.96,-2.27,;-1.63,-3.04,;-.29,-2.27,;1.17,-2.75,;2.08,-1.5,;1.17,-.25,;-.29,-.73,;-1.63,.04,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM410170 (US10370375, Example 18) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1c(cnc2[nH]ccc12)N([O-])=O |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,-.52,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM270872 (US10059709, 18) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1c(cnc2[nH]ccc12)[N+]([O-])=O |r,wU:9.12,wD:6.5,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;,3.57,;-1.33,2.8,;-1.33,1.26,;,.49,;1.33,1.26,;-2.67,.49,;-4,1.26,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-5.33,.49,;-6.67,-1.82,)| Show InChI InChI=1S/C16H23N5O4S/c1-17-26(24,25)10-11-3-5-12(6-4-11)20(2)15-13-7-8-18-16(13)19-9-14(15)21(22)23/h7-9,11-12,17H,3-6,10H2,1-2H3,(H,18,19)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM270880 (US10059709, 26) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1c(cnc2[nH]ccc12)C#N |r,wU:9.12,wD:6.5,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;,3.57,;-1.33,2.8,;-1.33,1.26,;,.49,;1.33,1.26,;-2.67,.49,;-4,1.26,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-6.67,-.28,)| Show InChI InChI=1S/C17H23N5O2S/c1-19-25(23,24)11-12-3-5-14(6-4-12)22(2)16-13(9-18)10-21-17-15(16)7-8-20-17/h7-8,10,12,14,19H,3-6,11H2,1-2H3,(H,20,21)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM410178 (US10370375, Example 26) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1c(cnc2[nH]ccc12)C#N |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-6.38,-.52,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM270879 (US10059709, 25) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)Oc1c(cnc2[nH]ccc12)[N+]([O-])=O |r,wU:6.5,wD:9.12,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;1.33,1.26,;,.49,;-1.33,1.26,;-1.33,2.8,;,3.57,;-2.67,.49,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-5.33,.49,;-6.67,-1.82,)| Show InChI InChI=1S/C15H20N4O5S/c1-16-25(22,23)9-10-2-4-11(5-3-10)24-14-12-6-7-17-15(12)18-8-13(14)19(20)21/h6-8,10-11,16H,2-5,9H2,1H3,(H,17,18)/t10-,11-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM410177 (US10370375, Example 25) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Oc1c(cnc2[nH]ccc12)[N+]([O-])=O |r,wU:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;1.63,2.56,;.29,1.79,;-1.04,2.56,;-1.04,4.1,;.29,4.87,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,-.52,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM270876 (US10059709, 22) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.75,2.78,;4.41,2.01,;3.08,2.78,;3.85,4.12,;2.31,1.45,;1.75,3.55,;.41,2.78,;-.92,3.55,;-2.26,2.78,;-2.26,1.24,;-.92,.47,;.41,1.24,;-3.59,.47,;-5.12,.63,;-5.75,-.77,;-4.6,-1.81,;-4.6,-3.35,;-3.27,-4.12,;-1.93,-3.35,;-.47,-3.82,;.43,-2.58,;-.47,-1.33,;-1.93,-1.81,;-3.27,-1.04,)| Show InChI InChI=1S/C16H21N5O2S/c1-17-24(22,23)9-11-2-4-12(5-3-11)21-10-20-14-8-19-16-13(15(14)21)6-7-18-16/h6-8,10-12,17H,2-5,9H2,1H3,(H,18,19)/t11-,12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187] (Homo sapiens (Human))	BDBM410174 (US10370375, Example 22) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)n1cnc2cnc3[nH]ccc3c12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.62,1.79,;-4.25,.38,;-2.96,-.73,;-2.96,-2.27,;-1.63,-3.04,;-.29,-2.27,;1.17,-2.75,;2.08,-1.5,;1.17,-.25,;-.29,-.73,;-1.63,.04,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124] (Homo sapiens (Human))	BDBM410174 (US10370375, Example 22) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)n1cnc2cnc3[nH]ccc3c12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.62,1.79,;-4.25,.38,;-2.96,-.73,;-2.96,-2.27,;-1.63,-3.04,;-.29,-2.27,;1.17,-2.75,;2.08,-1.5,;1.17,-.25,;-.29,-.73,;-1.63,.04,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM270876 (US10059709, 22) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.75,2.78,;4.41,2.01,;3.08,2.78,;3.85,4.12,;2.31,1.45,;1.75,3.55,;.41,2.78,;-.92,3.55,;-2.26,2.78,;-2.26,1.24,;-.92,.47,;.41,1.24,;-3.59,.47,;-5.12,.63,;-5.75,-.77,;-4.6,-1.81,;-4.6,-3.35,;-3.27,-4.12,;-1.93,-3.35,;-.47,-3.82,;.43,-2.58,;-.47,-1.33,;-1.93,-1.81,;-3.27,-1.04,)| Show InChI InChI=1S/C16H21N5O2S/c1-17-24(22,23)9-11-2-4-12(5-3-11)21-10-20-14-8-19-16-13(15(14)21)6-7-18-16/h6-8,10-12,17H,2-5,9H2,1H3,(H,18,19)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM270872 (US10059709, 18) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1c(cnc2[nH]ccc12)[N+]([O-])=O |r,wU:9.12,wD:6.5,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;,3.57,;-1.33,2.8,;-1.33,1.26,;,.49,;1.33,1.26,;-2.67,.49,;-4,1.26,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-5.33,.49,;-6.67,-1.82,)| Show InChI InChI=1S/C16H23N5O4S/c1-17-26(24,25)10-11-3-5-12(6-4-11)20(2)15-13-7-8-18-16(13)19-9-14(15)21(22)23/h7-9,11-12,17H,3-6,10H2,1-2H3,(H,18,19)/t11-,12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187] (Homo sapiens (Human))	BDBM410170 (US10370375, Example 18) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1c(cnc2[nH]ccc12)N([O-])=O |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,-.52,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM410180 (US10370375, Example 28) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnn2cccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)| Show InChI InChI=1S/C15H23N5O2S/c1-16-23(21,22)10-12-5-7-13(8-6-12)19(2)15-14-4-3-9-20(14)18-11-17-15/h3-4,9,11-13,16H,5-8,10H2,1-2H3/t12-,13?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM270882 (US10059709, 28) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnn2cccc12 |r,wU:9.12,wD:6.5,(5.33,2.8,;4,2.03,;2.67,2.8,;3.44,4.13,;1.9,1.46,;1.33,3.57,;,2.8,;-1.33,3.57,;-2.67,2.8,;-2.67,1.26,;-1.33,.49,;,1.26,;-4,.49,;-5.33,1.26,;-4,-1.05,;-5.33,-1.82,;-5.33,-3.36,;-4,-4.13,;-2.67,-3.36,;-1.2,-3.84,;-.3,-2.59,;-1.2,-1.35,;-2.67,-1.82,)| Show InChI InChI=1S/C15H23N5O2S/c1-16-23(21,22)10-12-5-7-13(8-6-12)19(2)15-14-4-3-9-20(14)18-11-17-15/h3-4,9,11-13,16H,5-8,10H2,1-2H3/t12-,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM270856 (US10059709, 2) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]cnc12 |r,wU:9.12,wD:6.5,(5.33,2.8,;4,2.03,;2.67,2.8,;3.44,4.13,;1.9,1.46,;1.33,3.57,;,2.8,;-1.33,3.57,;-2.67,2.8,;-2.67,1.26,;-1.33,.49,;,1.26,;-4,.49,;-5.33,1.26,;-4,-1.05,;-5.33,-1.82,;-5.33,-3.36,;-4,-4.13,;-2.67,-3.36,;-1.2,-3.84,;-.3,-2.59,;-1.2,-1.35,;-2.67,-1.82,)| Show InChI InChI=1S/C14H22N6O2S/c1-15-23(21,22)7-10-3-5-11(6-4-10)20(2)14-12-13(17-8-16-12)18-9-19-14/h8-11,15H,3-7H2,1-2H3,(H,16,17,18,19)/t10-,11-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	582	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM410154 (US10370375, Example 2) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]cnc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	582	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM270855 (US10059709, 1) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]c(C)nc12 |r,wU:9.12,wD:6.5,(5.33,2.8,;4,2.03,;2.67,2.8,;3.44,4.13,;1.9,1.46,;1.33,3.57,;,2.8,;-1.33,3.57,;-2.67,2.8,;-2.67,1.26,;-1.33,.49,;,1.26,;-4,.49,;-5.33,1.26,;-4,-1.05,;-5.33,-1.82,;-5.33,-3.36,;-4,-4.13,;-2.67,-3.36,;-1.2,-3.84,;-.3,-2.59,;1.24,-2.59,;-1.2,-1.35,;-2.67,-1.82,)| Show InChI InChI=1S/C15H24N6O2S/c1-10-19-13-14(20-10)17-9-18-15(13)21(3)12-6-4-11(5-7-12)8-24(22,23)16-2/h9,11-12,16H,4-8H2,1-3H3,(H,17,18,19,20)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	838	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM410153 (US10370375, Example 1) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]c(C)nc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;2.87,-1.29,;.42,-.05,;-1.04,-.52,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	838	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM270880 (US10059709, 26) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1c(cnc2[nH]ccc12)C#N |r,wU:9.12,wD:6.5,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;,3.57,;-1.33,2.8,;-1.33,1.26,;,.49,;1.33,1.26,;-2.67,.49,;-4,1.26,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-6.67,-.28,)| Show InChI InChI=1S/C17H23N5O2S/c1-19-25(23,24)11-12-3-5-14(6-4-12)22(2)16-13(9-18)10-21-17-15(16)7-8-20-17/h7-8,10,12,14,19H,3-6,11H2,1-2H3,(H,20,21)/t12-,14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187] (Homo sapiens (Human))	BDBM410178 (US10370375, Example 26) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1c(cnc2[nH]ccc12)C#N |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-6.38,-.52,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM270878 (US10059709, 24) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1c(cnn2cccc12)C#N |r,wU:9.12,wD:6.5,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;,3.57,;-1.33,2.8,;-1.33,1.26,;,.49,;1.33,1.26,;-2.67,.49,;-4,1.26,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-6.67,-.28,)| Show InChI InChI=1S/C17H23N5O2S/c1-19-25(23,24)12-13-5-7-15(8-6-13)21(2)17-14(10-18)11-20-22-9-3-4-16(17)22/h3-4,9,11,13,15,19H,5-8,12H2,1-2H3/t13-,15-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM410176 (US10370375, Example 24) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1c(cnn2cccc12)C#N |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-5.04,1.79,)| Show InChI InChI=1S/C17H23N5O2S/c1-19-25(23,24)12-13-5-7-15(8-6-13)21(2)17-14(10-18)11-20-22-9-3-4-16(17)22/h3-4,9,11,13,15,19H,5-8,12H2,1-2H3/t13-,15?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM270879 (US10059709, 25) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)Oc1c(cnc2[nH]ccc12)[N+]([O-])=O |r,wU:6.5,wD:9.12,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;1.33,1.26,;,.49,;-1.33,1.26,;-1.33,2.8,;,3.57,;-2.67,.49,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-5.33,.49,;-6.67,-1.82,)| Show InChI InChI=1S/C15H20N4O5S/c1-16-25(22,23)9-10-2-4-11(5-3-10)24-14-12-6-7-17-15(12)18-8-13(14)19(20)21/h6-8,10-11,16H,2-5,9H2,1H3,(H,17,18)/t10-,11-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187] (Homo sapiens (Human))	BDBM410177 (US10370375, Example 25) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Oc1c(cnc2[nH]ccc12)[N+]([O-])=O |r,wU:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;1.63,2.56,;.29,1.79,;-1.04,2.56,;-1.04,4.1,;.29,4.87,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,-.52,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124] (Homo sapiens (Human))	BDBM410170 (US10370375, Example 18) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1c(cnc2[nH]ccc12)N([O-])=O |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,-.52,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM270872 (US10059709, 18) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1c(cnc2[nH]ccc12)[N+]([O-])=O |r,wU:9.12,wD:6.5,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;,3.57,;-1.33,2.8,;-1.33,1.26,;,.49,;1.33,1.26,;-2.67,.49,;-4,1.26,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-5.33,.49,;-6.67,-1.82,)| Show InChI InChI=1S/C16H23N5O4S/c1-17-26(24,25)10-11-3-5-12(6-4-11)20(2)15-13-7-8-18-16(13)19-9-14(15)21(22)23/h7-9,11-12,17H,3-6,10H2,1-2H3,(H,18,19)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM270881 (US10059709, 27) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)Nc1c(cnn2cccc12)C#N |r,wU:9.12,wD:6.5,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;,3.57,;-1.33,2.8,;-1.33,1.26,;,.49,;1.33,1.26,;-2.67,.49,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-6.67,-.28,)| Show InChI InChI=1S/C16H21N5O2S/c1-18-24(22,23)11-12-4-6-14(7-5-12)20-16-13(9-17)10-19-21-8-2-3-15(16)21/h2-3,8,10,12,14,18,20H,4-7,11H2,1H3/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM410179 (US10370375, Example 27) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Nc1c(cnn2cccc12)C#N |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-6.38,-.52,)| Show InChI InChI=1S/C16H21N5O2S/c1-18-24(22,23)11-12-4-6-14(7-5-12)20-16-13(9-17)10-19-21-8-2-3-15(16)21/h2-3,8,10,12,14,18,20H,4-7,11H2,1H3/t12-,14?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM270856 (US10059709, 2) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]cnc12 |r,wU:9.12,wD:6.5,(5.33,2.8,;4,2.03,;2.67,2.8,;3.44,4.13,;1.9,1.46,;1.33,3.57,;,2.8,;-1.33,3.57,;-2.67,2.8,;-2.67,1.26,;-1.33,.49,;,1.26,;-4,.49,;-5.33,1.26,;-4,-1.05,;-5.33,-1.82,;-5.33,-3.36,;-4,-4.13,;-2.67,-3.36,;-1.2,-3.84,;-.3,-2.59,;-1.2,-1.35,;-2.67,-1.82,)| Show InChI InChI=1S/C14H22N6O2S/c1-15-23(21,22)7-10-3-5-11(6-4-10)20(2)14-12-13(17-8-16-12)18-9-19-14/h8-11,15H,3-7H2,1-2H3,(H,16,17,18,19)/t10-,11-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124] (Homo sapiens (Human))	BDBM410154 (US10370375, Example 2) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]cnc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM410165 (US10370375, Example 13) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Nc1nc(N)ncc1Br |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-1.04,-.52,;-1.04,-2.06,;.29,-2.83,;-2.38,-2.83,;-3.71,-2.06,;-3.71,-.52,;-5.04,.25,)| Show InChI InChI=1S/C12H20BrN5O2S/c1-15-21(19,20)7-8-2-4-9(5-3-8)17-11-10(13)6-16-12(14)18-11/h6,8-9,15H,2-5,7H2,1H3,(H3,14,16,17,18)/t8-,9?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair

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