Compile Data Set for Download or QSAR

Found 310 hits with Last Name = 'kurihara' and Initial = 'k'   

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
Estrogen receptor (Homo sapiens (Human))	BDBM50005414 ((estradiol)13-Methyl-7,8,9,11,12,13,14,15,16,17-de...) Show SMILES CC12CCC3C(CCc4cc(O)ccc34)C1CCC2O Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 916-20 (2005) Article DOI: 10.1124/jpet.104.074146 BindingDB Entry DOI: 10.7270/Q24T6GZR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM50025452 ((testosterone)17-Hydroxy-10,13-dimethyl-1,2,6,7,8,...) Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2O |t:8| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 916-20 (2005) Article DOI: 10.1124/jpet.104.074146 BindingDB Entry DOI: 10.7270/Q24T6GZR
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 916-20 (2005) Article DOI: 10.1124/jpet.104.074146 BindingDB Entry DOI: 10.7270/Q24T6GZR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM86680 (CAS_4042 | Mpa | NSC_4042) Show SMILES CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 916-20 (2005) Article DOI: 10.1124/jpet.104.074146 BindingDB Entry DOI: 10.7270/Q24T6GZR
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM86680 (CAS_4042 | Mpa | NSC_4042) Show SMILES CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 916-20 (2005) Article DOI: 10.1124/jpet.104.074146 BindingDB Entry DOI: 10.7270/Q24T6GZR
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM86678 (CP8816) Show SMILES COC1C=C2C=C3N(C)C(=O)C(C)=C3[C@@H](C)[C@]2(C)CC1OC(=O)N(C)C |r,c:12,t:3,5| Show InChI InChI=1S/C20H28N2O4/c1-11-17-12(2)20(3)10-16(26-19(24)21(4)5)15(25-7)9-13(20)8-14(17)22(6)18(11)23/h8-9,12,15-16H,10H2,1-7H3/t12-,15?,16?,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 916-20 (2005) Article DOI: 10.1124/jpet.104.074146 BindingDB Entry DOI: 10.7270/Q24T6GZR
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM86679 (CP8863) Show SMILES CNC(=O)OC1C[C@@]2(C)[C@H](C)C3=C(C)C(=O)N(C)C3=CC2=CC1O |r,c:11,19,22| Show InChI InChI=1S/C18H24N2O4/c1-9-15-10(2)18(3)8-14(24-17(23)19-4)13(21)7-11(18)6-12(15)20(5)16(9)22/h6-7,10,13-14,21H,8H2,1-5H3,(H,19,23)/t10-,13?,14?,18+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 916-20 (2005) Article DOI: 10.1124/jpet.104.074146 BindingDB Entry DOI: 10.7270/Q24T6GZR
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM86680 (CAS_4042 | Mpa | NSC_4042) Show SMILES CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 916-20 (2005) Article DOI: 10.1124/jpet.104.074146 BindingDB Entry DOI: 10.7270/Q24T6GZR
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM86678 (CP8816) Show SMILES COC1C=C2C=C3N(C)C(=O)C(C)=C3[C@@H](C)[C@]2(C)CC1OC(=O)N(C)C |r,c:12,t:3,5| Show InChI InChI=1S/C20H28N2O4/c1-11-17-12(2)20(3)10-16(26-19(24)21(4)5)15(25-7)9-13(20)8-14(17)22(6)18(11)23/h8-9,12,15-16H,10H2,1-7H3/t12-,15?,16?,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 916-20 (2005) Article DOI: 10.1124/jpet.104.074146 BindingDB Entry DOI: 10.7270/Q24T6GZR
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM86679 (CP8863) Show SMILES CNC(=O)OC1C[C@@]2(C)[C@H](C)C3=C(C)C(=O)N(C)C3=CC2=CC1O |r,c:11,19,22| Show InChI InChI=1S/C18H24N2O4/c1-9-15-10(2)18(3)8-14(24-17(23)19-4)13(21)7-11(18)6-12(15)20(5)16(9)22/h6-7,10,13-14,21H,8H2,1-5H3,(H,19,23)/t10-,13?,14?,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 916-20 (2005) Article DOI: 10.1124/jpet.104.074146 BindingDB Entry DOI: 10.7270/Q24T6GZR
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM86679 (CP8863) Show SMILES CNC(=O)OC1C[C@@]2(C)[C@H](C)C3=C(C)C(=O)N(C)C3=CC2=CC1O |r,c:11,19,22| Show InChI InChI=1S/C18H24N2O4/c1-9-15-10(2)18(3)8-14(24-17(23)19-4)13(21)7-11(18)6-12(15)20(5)16(9)22/h6-7,10,13-14,21H,8H2,1-5H3,(H,19,23)/t10-,13?,14?,18+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 916-20 (2005) Article DOI: 10.1124/jpet.104.074146 BindingDB Entry DOI: 10.7270/Q24T6GZR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM86679 (CP8863) Show SMILES CNC(=O)OC1C[C@@]2(C)[C@H](C)C3=C(C)C(=O)N(C)C3=CC2=CC1O |r,c:11,19,22| Show InChI InChI=1S/C18H24N2O4/c1-9-15-10(2)18(3)8-14(24-17(23)19-4)13(21)7-11(18)6-12(15)20(5)16(9)22/h6-7,10,13-14,21H,8H2,1-5H3,(H,19,23)/t10-,13?,14?,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 916-20 (2005) Article DOI: 10.1124/jpet.104.074146 BindingDB Entry DOI: 10.7270/Q24T6GZR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM86678 (CP8816) Show SMILES COC1C=C2C=C3N(C)C(=O)C(C)=C3[C@@H](C)[C@]2(C)CC1OC(=O)N(C)C |r,c:12,t:3,5| Show InChI InChI=1S/C20H28N2O4/c1-11-17-12(2)20(3)10-16(26-19(24)21(4)5)15(25-7)9-13(20)8-14(17)22(6)18(11)23/h8-9,12,15-16H,10H2,1-7H3/t12-,15?,16?,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 916-20 (2005) Article DOI: 10.1124/jpet.104.074146 BindingDB Entry DOI: 10.7270/Q24T6GZR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM86680 (CAS_4042 | Mpa | NSC_4042) Show SMILES CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 916-20 (2005) Article DOI: 10.1124/jpet.104.074146 BindingDB Entry DOI: 10.7270/Q24T6GZR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM411421 (US10385052, Example 2) Show SMILES FC(F)(F)CCOCC1CCC(CC1)[C@H]1C2C(C=Nc3[nH]ccc23)C(=O)NC1=O |r,wU:14.14,c:18,(6.58,2.18,;7.92,2.95,;9.25,2.18,;7.92,1.41,;7.92,4.49,;6.58,5.26,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-1.33,.77,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-4,.77,;-5.33,0,;-4,2.31,;-2.67,3.08,;-2.67,4.62,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Corporation US Patent					Assay Description The JAK inhibitory activities of compounds of the present invention were measured.The enzymes (JAK1, JAK2, JAK3 and Tyk2) were purchased from Carna B...				US Patent US10385052 (2019) BindingDB Entry DOI: 10.7270/Q2154KC4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM254982 (US9475813, 38) Show SMILES CN1CN([C@H]2CC[C@H](CN3CCCS3(=O)=O)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(-6.53,1.02,;-5.19,.25,;-3.86,1.02,;-2.53,.25,;-1.19,1.02,;-1.19,2.56,;.14,3.33,;1.47,2.56,;2.81,3.33,;4.14,2.56,;4.16,1.02,;5.62,.54,;6.53,1.79,;5.62,3.04,;6.39,4.37,;4.85,4.37,;1.47,1.02,;.14,.25,;-2.53,-1.29,;-3.86,-2.06,;-3.86,-3.6,;-2.53,-4.37,;-1.19,-3.6,;.27,-4.08,;1.18,-2.83,;.27,-1.58,;-1.19,-2.06,;-5.19,-1.29,;-6.53,-2.06,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM411423 (US10385052, Example 4) Show SMILES Cc1cnn(CC2CCC(CC2)N2C=CC(=O)C3C=Nc4[nH]ccc4C23)c1 |c:14,19,(9.12,3.4,;7.62,3.72,;6.71,2.47,;5.25,2.95,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-5.33,0,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-1.33,.77,;6.71,4.96,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Corporation US Patent					Assay Description The JAK inhibitory activities of compounds of the present invention were measured.The enzymes (JAK1, JAK2, JAK3 and Tyk2) were purchased from Carna B...				US Patent US10385052 (2019) BindingDB Entry DOI: 10.7270/Q2154KC4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM254980 (US9475813, 36) Show SMILES CN1CN([C@H]2CC[C@H](CNS(=O)(=O)CC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(-8,.87,;-6.67,.1,;-5.33,.87,;-4,.1,;-2.67,.87,;-2.67,2.41,;-1.33,3.18,;,2.41,;1.33,3.18,;2.67,2.41,;4,3.18,;4.77,4.52,;3.23,4.52,;2.63,3.88,;2.55,5.42,;2.47,6.96,;4.09,5.5,;1.01,5.34,;,.87,;-1.33,.1,;-4,-1.44,;-5.33,-2.21,;-5.33,-3.75,;-4,-4.52,;-2.67,-3.75,;-1.2,-4.22,;-.3,-2.98,;-1.2,-1.73,;-2.67,-2.21,;-6.67,-1.44,;-8,-2.21,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM411424 (US10385052, Example 5) Show SMILES FC(F)(F)COCC1CCC(CC1)N1C=CC(=O)C2C=Nc3[nH]ccc3C12 |c:15,20,(5.89,7.5,;7.03,6.47,;8.5,6.94,;8.18,5.44,;6.71,4.96,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-5.33,0,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-1.33,.77,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Corporation US Patent					Assay Description The JAK inhibitory activities of compounds of the present invention were measured.The enzymes (JAK1, JAK2, JAK3 and Tyk2) were purchased from Carna B...				US Patent US10385052 (2019) BindingDB Entry DOI: 10.7270/Q2154KC4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM254982 (US9475813, 38) Show SMILES CN1CN([C@H]2CC[C@H](CN3CCCS3(=O)=O)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(-6.53,1.02,;-5.19,.25,;-3.86,1.02,;-2.53,.25,;-1.19,1.02,;-1.19,2.56,;.14,3.33,;1.47,2.56,;2.81,3.33,;4.14,2.56,;4.16,1.02,;5.62,.54,;6.53,1.79,;5.62,3.04,;6.39,4.37,;4.85,4.37,;1.47,1.02,;.14,.25,;-2.53,-1.29,;-3.86,-2.06,;-3.86,-3.6,;-2.53,-4.37,;-1.19,-3.6,;.27,-4.08,;1.18,-2.83,;.27,-1.58,;-1.19,-2.06,;-5.19,-1.29,;-6.53,-2.06,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM254981 (US9475813, 37) Show SMILES CN1CN([C@H]2CC[C@H](CNS(C)(=O)=O)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(-6.67,.87,;-5.33,.1,;-4,.87,;-2.67,.1,;-1.33,.87,;-1.33,2.41,;,3.18,;1.33,2.41,;2.67,3.18,;4,2.41,;5.33,3.18,;6.67,2.41,;6.1,4.52,;4.56,4.52,;1.33,.87,;,.1,;-2.67,-1.44,;-4,-2.21,;-4,-3.75,;-2.67,-4.52,;-1.33,-3.75,;.13,-4.22,;1.04,-2.98,;.13,-1.73,;-1.33,-2.21,;-5.33,-1.44,;-6.67,-2.21,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM411425 (US10385052, Example 6) Show SMILES FC(F)(F)CCOCC1CCC(CC1)N1C=CC(=O)C2C=Nc3[nH]ccc3C12 |c:16,21,(8.82,8.45,;8.5,6.94,;9.64,5.91,;8.18,5.44,;7.03,6.47,;6.71,4.96,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-5.33,0,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-1.33,.77,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Corporation US Patent					Assay Description The JAK inhibitory activities of compounds of the present invention were measured.The enzymes (JAK1, JAK2, JAK3 and Tyk2) were purchased from Carna B...				US Patent US10385052 (2019) BindingDB Entry DOI: 10.7270/Q2154KC4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM411426 (US10385052, Example 7) Show SMILES FC(F)(F)[C@H](CC#N)OCC1CCC(CC1)N1C=CC(=O)C2C=Nc3[nH]ccc3C12 |r,wU:4.7,c:18,23,(7.54,2.43,;7.86,3.93,;9.32,4.41,;9,2.9,;6.71,4.96,;7.03,6.47,;8.5,6.94,;8.82,8.45,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-5.33,0,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-1.33,.77,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Corporation US Patent					Assay Description The JAK inhibitory activities of compounds of the present invention were measured.The enzymes (JAK1, JAK2, JAK3 and Tyk2) were purchased from Carna B...				US Patent US10385052 (2019) BindingDB Entry DOI: 10.7270/Q2154KC4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM255032 (US9475813, 53) Show SMILES CN1CN([C@H]2CC[C@H](COCCC#N)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(,-12.32,;,-10.78,;1.33,-10.01,;1.33,-8.47,;2.67,-7.7,;2.67,-6.16,;4,-5.39,;5.33,-6.16,;6.67,-5.39,;8,-6.16,;9.34,-5.39,;10.67,-6.16,;12,-5.39,;13.34,-4.62,;5.33,-7.7,;4,-8.47,;,-7.7,;-1.33,-8.47,;-2.67,-7.7,;-2.67,-6.16,;-1.33,-5.39,;-1.01,-3.88,;.52,-3.72,;1.14,-5.13,;,-6.16,;-1.33,-10.01,;-2.67,-10.78,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM254979 (US9475813, 2) Show SMILES FC(F)(Br)CNC[C@H]1CC[C@@H](CC1)N1CNC(=O)c2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(7.34,3.85,;6,3.08,;6,1.54,;7.34,2.31,;4.67,3.85,;3.33,3.08,;2,3.85,;.67,3.08,;-.67,3.85,;-2,3.08,;-2,1.54,;-.67,.77,;.67,1.54,;-3.33,.77,;-4.67,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-4.67,-1.54,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.54,-3.56,;.37,-2.31,;-.54,-1.06,;-2,-1.54,;-3.33,-.77,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM255001 (US9475813, 6) Show SMILES CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)N1CN(CC(F)(F)F)C(=O)c2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(-.03,-6.08,;-1.39,-5.35,;-2.11,-6.7,;-2.74,-4.62,;-.66,-3.99,;.88,-3.94,;1.61,-2.59,;3.15,-2.54,;3.88,-1.18,;3.07,.13,;1.53,.08,;.8,-1.28,;3.79,1.49,;5.33,1.53,;6.06,2.89,;7.6,2.94,;8.33,4.3,;9.06,5.65,;6.97,5.02,;9.69,3.57,;5.25,4.2,;5.98,5.56,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;2.98,2.79,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM254995 (US9475813, 51) Show SMILES CN(C[C@H]1CC[C@@H](CC1)N1CN(CC#N)C(=O)c2cnc3[nH]ccc3c12)CC(F)(F)F |r,wU:6.9,wD:3.2,(4.67,1.26,;4.67,2.8,;3.33,3.57,;2,2.8,;.67,3.57,;-.67,2.8,;-.67,1.26,;.67,.49,;2,1.26,;-2,.49,;-3.33,1.26,;-4.67,.49,;-6,1.26,;-7.34,.49,;-8.67,-.28,;-4.67,-1.05,;-6,-1.82,;-3.33,-1.82,;-3.33,-3.36,;-2,-4.13,;-.67,-3.36,;.8,-3.84,;1.7,-2.59,;.8,-1.35,;-.67,-1.82,;-2,-1.05,;6,3.57,;7.34,2.8,;8.67,2.03,;8.11,4.13,;6.57,1.46,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM411420 (US10385052, Example 1) Show SMILES FC(F)(F)[C@@H](CC#N)NCC1CCC(CC1)[C@H]1C2C(C=Nc3[nH]ccc23)C(=O)NC1=O |r,wU:16.16,4.7,c:20,(5.25,7.57,;6.58,6.8,;7.92,7.57,;7.92,6.03,;6.58,5.26,;7.92,4.49,;7.92,2.95,;6.58,2.18,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-1.33,.77,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-4,.77,;-5.33,0,;-4,2.31,;-2.67,3.08,;-2.67,4.62,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Corporation US Patent					Assay Description The JAK inhibitory activities of compounds of the present invention were measured.The enzymes (JAK1, JAK2, JAK3 and Tyk2) were purchased from Carna B...				US Patent US10385052 (2019) BindingDB Entry DOI: 10.7270/Q2154KC4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM255010 (US9475813, 15) Show SMILES FC(F)(F)C1(CC1)NC[C@H]1CC[C@@H](CC1)N1CNC(=O)c2cnc3[nH]ccc3c12 |r,wU:12.16,wD:9.9,(-1.96,-5.65,;-.5,-6.13,;-.98,-7.59,;-.02,-4.66,;.97,-6.61,;2.18,-7.56,;.75,-8.13,;1.69,-5.25,;.88,-3.94,;1.61,-2.59,;3.15,-2.54,;3.88,-1.18,;3.07,.13,;1.53,.08,;.8,-1.28,;3.79,1.49,;5.33,1.53,;6.06,2.89,;5.25,4.2,;5.98,5.56,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;2.98,2.79,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM254996 (US9475813, 66) Show SMILES CN(C[C@H]1CC[C@@H](CC1)N1CNC(=O)c2cnc3[nH]ccc3c12)CC(F)(F)F |r,wU:6.9,wD:3.2,(3.33,1.26,;3.33,2.8,;2,3.57,;.67,2.8,;-.67,3.57,;-2,2.8,;-2,1.26,;-.67,.49,;.67,1.26,;-3.33,.49,;-4.67,1.26,;-6,.49,;-6,-1.05,;-7.34,-1.82,;-4.67,-1.82,;-4.67,-3.36,;-3.33,-4.13,;-2,-3.36,;-.54,-3.84,;.37,-2.59,;-.54,-1.35,;-2,-1.82,;-3.33,-1.05,;4.67,3.57,;4.67,5.11,;4.67,6.65,;6.21,5.11,;3.13,5.11,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM254988 (US9475813, 44) Show SMILES O=C1N(CN([C@H]2CC[C@H](CN3CCCS3(=O)=O)CC2)c2c1cnc1[nH]ccc21)C1CC1 |r,wU:5.4,wD:8.8,(-5.76,-2.06,;-4.42,-1.29,;-4.42,.25,;-3.09,1.02,;-1.76,.25,;-.42,1.02,;-.42,2.56,;.91,3.33,;2.24,2.56,;3.58,3.33,;4.91,2.56,;4.93,1.02,;6.39,.54,;7.3,1.79,;6.39,3.04,;7.16,4.37,;5.62,4.37,;2.24,1.02,;.91,.25,;-1.76,-1.29,;-3.09,-2.06,;-3.09,-3.6,;-1.76,-4.37,;-.42,-3.6,;1.04,-4.08,;1.95,-2.83,;1.04,-1.58,;-.42,-2.06,;-5.76,1.02,;-6.53,2.35,;-7.3,1.02,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM255002 (US9475813, 7) Show SMILES FC(F)(F)CN1CN([C@H]2CC[C@H](CNS(=O)(=O)C3CC3)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:8.7,wD:11.11,(9.06,5.65,;8.33,4.3,;6.97,5.02,;9.69,3.57,;7.6,2.94,;6.06,2.89,;5.33,1.53,;3.79,1.49,;3.07,.13,;3.88,-1.18,;3.15,-2.54,;1.61,-2.59,;.88,-3.94,;1.69,-5.25,;.97,-6.61,;-.39,-5.88,;2.32,-7.34,;.24,-7.97,;.29,-9.5,;-1.07,-8.78,;.8,-1.28,;1.53,.08,;2.98,2.79,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;5.25,4.2,;5.98,5.56,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM254984 (US9475813, 40) Show SMILES CN(C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)c2cnc3[nH]ccc3c12)CC(F)(F)F |r,wU:6.9,wD:3.2,(3.33,1.26,;3.33,2.8,;2,3.57,;.67,2.8,;-.67,3.57,;-2,2.8,;-2,1.26,;-.67,.49,;.67,1.26,;-3.33,.49,;-4.67,1.26,;-6,.49,;-7.34,1.26,;-6,-1.05,;-7.34,-1.82,;-4.67,-1.82,;-4.67,-3.36,;-3.33,-4.13,;-2,-3.36,;-.54,-3.84,;.37,-2.59,;-.54,-1.35,;-2,-1.82,;-3.33,-1.05,;4.67,3.57,;4.67,5.11,;4.67,6.65,;6.21,5.11,;3.13,5.11,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM411421 (US10385052, Example 2) Show SMILES FC(F)(F)CCOCC1CCC(CC1)[C@H]1C2C(C=Nc3[nH]ccc23)C(=O)NC1=O |r,wU:14.14,c:18,(6.58,2.18,;7.92,2.95,;9.25,2.18,;7.92,1.41,;7.92,4.49,;6.58,5.26,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-1.33,.77,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-4,.77,;-5.33,0,;-4,2.31,;-2.67,3.08,;-2.67,4.62,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Corporation US Patent					Assay Description The JAK inhibitory activities of compounds of the present invention were measured.The enzymes (JAK1, JAK2, JAK3 and Tyk2) were purchased from Carna B...				US Patent US10385052 (2019) BindingDB Entry DOI: 10.7270/Q2154KC4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM411425 (US10385052, Example 6) Show SMILES FC(F)(F)CCOCC1CCC(CC1)N1C=CC(=O)C2C=Nc3[nH]ccc3C12 |c:16,21,(8.82,8.45,;8.5,6.94,;9.64,5.91,;8.18,5.44,;7.03,6.47,;6.71,4.96,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-5.33,0,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-1.33,.77,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Corporation US Patent					Assay Description The JAK inhibitory activities of compounds of the present invention were measured.The enzymes (JAK1, JAK2, JAK3 and Tyk2) were purchased from Carna B...				US Patent US10385052 (2019) BindingDB Entry DOI: 10.7270/Q2154KC4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM255034 (US9475813, 55) Show SMILES CN1CN([C@H]2CC[C@H](CNC3(CC3)C(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(11.19,.67,;9.65,.72,;8.92,2.08,;7.38,2.13,;6.66,3.48,;5.12,3.53,;4.39,4.89,;5.2,6.2,;4.47,7.56,;5.28,8.86,;4.56,10.22,;4.34,11.75,;5.77,11.17,;3.09,9.74,;1.63,9.26,;2.61,11.2,;3.57,8.28,;6.74,6.15,;7.47,4.79,;6.57,.82,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;8.84,-.59,;9.57,-1.94,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM411422 (US10385052, Example 3) Show SMILES FC(F)(F)[C@@H](CC#N)NCC1CCC(CC1)N1C=CC(=O)C2C=Nc3[nH]ccc3C12 |r,wU:4.7,c:18,23,(5.25,7.57,;6.58,6.8,;7.92,7.57,;7.92,6.03,;6.58,5.26,;7.92,4.49,;7.92,2.95,;6.58,2.18,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-5.33,0,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-1.33,.77,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Corporation US Patent					Assay Description The JAK inhibitory activities of compounds of the present invention were measured.The enzymes (JAK1, JAK2, JAK3 and Tyk2) were purchased from Carna B...				US Patent US10385052 (2019) BindingDB Entry DOI: 10.7270/Q2154KC4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM254987 (US9475813, 43) Show SMILES CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)N1CN(C2CC2)C(=O)c2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(7.44,2.41,;6.1,3.18,;6.87,4.52,;5.33,4.52,;4.77,2.41,;3.44,3.18,;2.1,2.41,;.77,3.18,;-.56,2.41,;-.56,.87,;.77,.1,;2.1,.87,;-1.9,.1,;-3.23,.87,;-4.56,.1,;-5.9,.87,;-6.67,2.21,;-7.44,.87,;-4.56,-1.44,;-5.9,-2.21,;-3.23,-2.21,;-3.23,-3.75,;-1.9,-4.52,;-.56,-3.75,;.9,-4.22,;1.81,-2.98,;.9,-1.73,;-.56,-2.21,;-1.9,-1.44,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM254980 (US9475813, 36) Show SMILES CN1CN([C@H]2CC[C@H](CNS(=O)(=O)CC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(-8,.87,;-6.67,.1,;-5.33,.87,;-4,.1,;-2.67,.87,;-2.67,2.41,;-1.33,3.18,;,2.41,;1.33,3.18,;2.67,2.41,;4,3.18,;4.77,4.52,;3.23,4.52,;2.63,3.88,;2.55,5.42,;2.47,6.96,;4.09,5.5,;1.01,5.34,;,.87,;-1.33,.1,;-4,-1.44,;-5.33,-2.21,;-5.33,-3.75,;-4,-4.52,;-2.67,-3.75,;-1.2,-4.22,;-.3,-2.98,;-1.2,-1.73,;-2.67,-2.21,;-6.67,-1.44,;-8,-2.21,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM255038 (US9475813, 59) Show SMILES FC(F)(F)C1(CC1)NC[C@H]1CC[C@@H](CC1)N1CN(CC#N)C(=O)c2cnc3[nH]ccc3c12 |r,wU:12.16,wD:9.9,(1.03,-7.25,;-.18,-6.3,;-1.13,-7.51,;.78,-5.09,;-1.39,-5.35,;-2.53,-6.37,;-2.85,-4.87,;-.66,-3.99,;.88,-3.94,;1.61,-2.59,;3.15,-2.54,;3.88,-1.18,;3.07,.13,;1.53,.08,;.8,-1.28,;3.79,1.49,;5.33,1.53,;6.06,2.89,;7.6,2.94,;8.33,4.3,;9.06,5.65,;5.25,4.2,;5.98,5.56,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;2.98,2.79,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM255032 (US9475813, 53) Show SMILES CN1CN([C@H]2CC[C@H](COCCC#N)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(,-12.32,;,-10.78,;1.33,-10.01,;1.33,-8.47,;2.67,-7.7,;2.67,-6.16,;4,-5.39,;5.33,-6.16,;6.67,-5.39,;8,-6.16,;9.34,-5.39,;10.67,-6.16,;12,-5.39,;13.34,-4.62,;5.33,-7.7,;4,-8.47,;,-7.7,;-1.33,-8.47,;-2.67,-7.7,;-2.67,-6.16,;-1.33,-5.39,;-1.01,-3.88,;.52,-3.72,;1.14,-5.13,;,-6.16,;-1.33,-10.01,;-2.67,-10.78,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM254990 (US9475813, 46) Show SMILES CCN1CN([C@H]2CC[C@H](CNS(=O)(=O)CC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:5.4,wD:8.8,(-8.67,.1,;-7.34,.87,;-6,.1,;-4.67,.87,;-3.33,.1,;-2,.87,;-2,2.41,;-.67,3.18,;.67,2.41,;2,3.18,;3.33,2.41,;4.67,3.18,;3.9,4.52,;5.44,4.52,;3.18,3.58,;2.78,5.07,;2.38,6.56,;4.27,5.47,;1.29,4.67,;.67,.87,;-.67,.1,;-3.33,-1.44,;-4.67,-2.21,;-4.67,-3.75,;-3.33,-4.52,;-2,-3.75,;-.54,-4.22,;.37,-2.98,;-.54,-1.73,;-2,-2.21,;-6,-1.44,;-7.34,-2.21,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM411423 (US10385052, Example 4) Show SMILES Cc1cnn(CC2CCC(CC2)N2C=CC(=O)C3C=Nc4[nH]ccc4C23)c1 |c:14,19,(9.12,3.4,;7.62,3.72,;6.71,2.47,;5.25,2.95,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-5.33,0,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-1.33,.77,;6.71,4.96,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Corporation US Patent					Assay Description The JAK inhibitory activities of compounds of the present invention were measured.The enzymes (JAK1, JAK2, JAK3 and Tyk2) were purchased from Carna B...				US Patent US10385052 (2019) BindingDB Entry DOI: 10.7270/Q2154KC4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM255044 (US9475813, 65) Show SMILES CN1CN([C@H]2CC[C@H](CN3CC(O)C3)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(7.6,2.94,;6.06,2.89,;5.33,1.53,;3.79,1.49,;3.07,.13,;3.88,-1.18,;3.15,-2.54,;1.61,-2.59,;.88,-3.94,;1.69,-5.25,;1.34,-6.75,;2.84,-7.1,;3.65,-8.41,;3.19,-5.6,;.8,-1.28,;1.53,.08,;2.98,2.79,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;5.25,4.2,;5.98,5.56,)| Show InChI	PDB 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
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM411426 (US10385052, Example 7) Show SMILES FC(F)(F)[C@H](CC#N)OCC1CCC(CC1)N1C=CC(=O)C2C=Nc3[nH]ccc3C12 |r,wU:4.7,c:18,23,(7.54,2.43,;7.86,3.93,;9.32,4.41,;9,2.9,;6.71,4.96,;7.03,6.47,;8.5,6.94,;8.82,8.45,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-5.33,0,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-1.33,.77,)| Show InChI	PDB 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
Nissan Chemical Corporation US Patent					Assay Description The JAK inhibitory activities of compounds of the present invention were measured.The enzymes (JAK1, JAK2, JAK3 and Tyk2) were purchased from Carna B...				US Patent US10385052 (2019) BindingDB Entry DOI: 10.7270/Q2154KC4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM255011 (US9475813, 16) Show SMILES CN1CN([C@H]2CC[C@H](CNCC(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(7.6,2.94,;6.06,2.89,;5.33,1.53,;3.79,1.49,;3.07,.13,;3.88,-1.18,;3.15,-2.54,;1.61,-2.59,;.88,-3.94,;1.69,-5.25,;.97,-6.61,;1.78,-7.92,;1.05,-9.27,;3.32,-7.87,;.8,-1.28,;1.53,.08,;2.98,2.79,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;5.25,4.2,;5.98,5.56,)| Show InChI	PDB 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
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM255013 (US9475813, 18) Show SMILES CN1CN([C@H]2CC[C@H](CNCC#N)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:7.7,wD:4.3,(11.19,.67,;9.65,.72,;8.92,2.08,;7.38,2.13,;6.66,3.48,;7.47,4.79,;6.74,6.15,;5.2,6.2,;4.47,7.56,;2.93,7.6,;2.21,8.96,;.67,9.01,;-.87,9.06,;4.39,4.89,;5.12,3.53,;6.57,.82,;7.3,-.54,;6.49,-1.85,;4.95,-1.8,;4.22,-.44,;2.73,-.08,;2.61,1.46,;4.04,2.04,;5.03,.87,;8.84,-.59,;9.57,-1.94,)| Show InChI	PDB 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
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM411424 (US10385052, Example 5) Show SMILES FC(F)(F)COCC1CCC(CC1)N1C=CC(=O)C2C=Nc3[nH]ccc3C12 |c:15,20,(5.89,7.5,;7.03,6.47,;8.5,6.94,;8.18,5.44,;6.71,4.96,;5.25,4.49,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;0,3.08,;0,4.62,;1.33,5.39,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-5.33,0,;-2.67,0,;-2.67,-1.54,;-1.33,-2.31,;0,-1.54,;1.46,-2.02,;2.37,-.77,;1.47,.48,;0,0,;-1.33,.77,)| Show InChI	PDB 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
Nissan Chemical Corporation US Patent					Assay Description The JAK inhibitory activities of compounds of the present invention were measured.The enzymes (JAK1, JAK2, JAK3 and Tyk2) were purchased from Carna B...				US Patent US10385052 (2019) BindingDB Entry DOI: 10.7270/Q2154KC4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM254979 (US9475813, 2) Show SMILES FC(F)(Br)CNC[C@H]1CC[C@@H](CC1)N1CNC(=O)c2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(7.34,3.85,;6,3.08,;6,1.54,;7.34,2.31,;4.67,3.85,;3.33,3.08,;2,3.85,;.67,3.08,;-.67,3.85,;-2,3.08,;-2,1.54,;-.67,.77,;.67,1.54,;-3.33,.77,;-4.67,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-4.67,-1.54,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.54,-3.56,;.37,-2.31,;-.54,-1.06,;-2,-1.54,;-3.33,-.77,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM254989 (US9475813, 45) Show SMILES O=C1NCN([C@H]2CC[C@H](CNCC#N)CC2)c2c1cnc1[nH]ccc21 |r,wU:5.4,wD:8.8,(-7.34,-1.54,;-6,-.77,;-6,.77,;-4.67,1.54,;-3.33,.77,;-2,1.54,;-2,3.08,;-.67,3.85,;.67,3.08,;2,3.85,;3.33,3.08,;3.33,1.54,;4.67,.77,;6,,;.67,1.54,;-.67,.77,;-3.33,-.77,;-4.67,-1.54,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.54,-3.56,;.37,-2.31,;-.54,-1.06,;-2,-1.54,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Nissan Chemical Industries, Ltd. US Patent					Assay Description The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...				US Patent US9475813 (2016) BindingDB Entry DOI: 10.7270/Q2PC31BN
					More data for this Ligand-Target Pair

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