Compile Data Set for Download or QSAR

Found 1549 hits with Last Name = 'salter-cid' and Initial = 'lm'   

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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM23165 (CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by radioligand competitive binding analy...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01695 BindingDB Entry DOI: 10.7270/Q2TQ659P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50169441 (CHEMBL3806205) Show SMILES CCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h9-10,14,17,21H,2-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by radioligand competitive binding analy...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01695 BindingDB Entry DOI: 10.7270/Q2TQ659P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM258470 (US9522888, 697) Show SMILES COc1ccccc1CC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C25H34NO5P/c1-30-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-31-32(27,28)29/h2-5,10-11,15,18,23H,6-9,12-14,16-17,26H2,1H3,(H2,27,28,29)/t18-,23+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by radioligand competitive binding analy...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01695 BindingDB Entry DOI: 10.7270/Q2TQ659P
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50239718 (CHEMBL4064666 | US10214537, Example 639) Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C22H20F3N7O2/c1-12(33)31-7-6-30(20(34)21(31,2)3)16-8-13(4-5-14(16)10-26)17-9-15(22(23,24)25)18-19(27)28-11-29-32(17)18/h4-5,8-9,11H,6-7H2,1-3H3,(H2,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine				J Med Chem 60: 5193-5208 (2017) Article DOI: 10.1021/acs.jmedchem.7b00618 BindingDB Entry DOI: 10.7270/Q2WW7KVJ
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM21958 (2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...) Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(C)c1 Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00049 BindingDB Entry DOI: 10.7270/Q2JH3R6P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM197654 (US9216972, 7) Show SMILES OC(=O)C1CN(Cc2ccc3-c4noc(c4CCc3c2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C26H20F3N3O4/c27-26(28,29)20-21(15-4-2-1-3-5-15)30-36-24(20)23-19-9-7-16-10-14(6-8-18(16)22(19)31-35-23)11-32-12-17(13-32)25(33)34/h1-6,8,10,17H,7,9,11-13H2,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human S1P1				Citation and Details BindingDB Entry DOI: 10.7270/Q24X5CD0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50267827 (CHEMBL4076794) Show SMILES COc1cccc(c1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H29N5O2/c1-22(2)19(8-9-23(22,3)25)27-20-17(21(24)29)12-26-28-13-15(11-18(20)28)14-6-5-7-16(10-14)30-4/h5-7,10-13,19,27H,8-9,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50267796 (CHEMBL4098840) Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(F)nc2)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C21H25FN6O/c1-20(2)16(6-7-21(20,3)24)27-18-14(19(23)29)10-26-28-11-13(8-15(18)28)12-4-5-17(22)25-9-12/h4-5,8-11,16,27H,6-7,24H2,1-3H3,(H2,23,29)/t16-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50267826 (CHEMBL4096145) Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C22H27N5O/c1-21(2)18(9-10-22(21,3)24)26-19-16(20(23)28)12-25-27-13-15(11-17(19)27)14-7-5-4-6-8-14/h4-8,11-13,18,26H,9-10,24H2,1-3H3,(H2,23,28)/t18-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50267804 (CHEMBL4070136) Show SMILES CC(C)Oc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C24H32N6O2/c1-14(2)32-20-7-6-15(11-27-20)16-10-18-21(17(22(25)31)12-28-30(18)13-16)29-19-8-9-24(5,26)23(19,3)4/h6-7,10-14,19,29H,8-9,26H2,1-5H3,(H2,25,31)/t19-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50232433 (CHEMBL4068514 | US10214537, Example 619) Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine				J Med Chem 60: 5193-5208 (2017) Article DOI: 10.1021/acs.jmedchem.7b00618 BindingDB Entry DOI: 10.7270/Q2WW7KVJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50267806 (CHEMBL4071255) Show SMILES COc1ccccc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H29N5O2/c1-22(2)19(9-10-23(22,3)25)27-20-16(21(24)29)12-26-28-13-14(11-17(20)28)15-7-5-6-8-18(15)30-4/h5-8,11-13,19,27H,9-10,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50267852 (CHEMBL4073562) Show SMILES Cc1cc(ccn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C22H28N6O/c1-13-9-14(6-8-25-13)15-10-17-19(16(20(23)29)11-26-28(17)12-15)27-18-5-7-22(4,24)21(18,2)3/h6,8-12,18,27H,5,7,24H2,1-4H3,(H2,23,29)/t18-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50267852 (CHEMBL4073562) Show SMILES Cc1cc(ccn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C22H28N6O/c1-13-9-14(6-8-25-13)15-10-17-19(16(20(23)29)11-26-28(17)12-15)27-18-5-7-22(4,24)21(18,2)3/h6,8-12,18,27H,5,7,24H2,1-4H3,(H2,23,29)/t18-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM141473 (US8921368, 192) Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccnc2)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C21H26N6O/c1-20(2)17(6-7-21(20,3)23)26-18-15(19(22)28)11-25-27-12-14(9-16(18)27)13-5-4-8-24-10-13/h4-5,8-12,17,26H,6-7,23H2,1-3H3,(H2,22,28)/t17-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50267828 (CHEMBL4078773) Show SMILES COc1ccc(cc1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H29N5O2/c1-22(2)19(9-10-23(22,3)25)27-20-17(21(24)29)12-26-28-13-15(11-18(20)28)14-5-7-16(30-4)8-6-14/h5-8,11-13,19,27H,9-10,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50267810 (CHEMBL4068856) Show SMILES Cc1ccccc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H29N5O/c1-14-7-5-6-8-16(14)15-11-18-20(17(21(24)29)12-26-28(18)13-15)27-19-9-10-23(4,25)22(19,2)3/h5-8,11-13,19,27H,9-10,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM21958 (2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...) Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(C)c1 Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00049 BindingDB Entry DOI: 10.7270/Q2JH3R6P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM141473 (US8921368, 192) Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccnc2)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C21H26N6O/c1-20(2)17(6-7-21(20,3)23)26-18-15(19(22)28)11-25-27-12-14(9-16(18)27)13-5-4-8-24-10-13/h4-5,8-12,17,26H,6-7,23H2,1-3H3,(H2,22,28)/t17-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50267807 (CHEMBL4060536) Show SMILES Cc1ccc(cc1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H29N5O/c1-14-5-7-15(8-6-14)16-11-18-20(17(21(24)29)12-26-28(18)13-16)27-19-9-10-23(4,25)22(19,2)3/h5-8,11-13,19,27H,9-10,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50267840 (CHEMBL4062062) Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(Cl)cc2)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C22H26ClN5O/c1-21(2)18(8-9-22(21,3)25)27-19-16(20(24)29)11-26-28-12-14(10-17(19)28)13-4-6-15(23)7-5-13/h4-7,10-12,18,27H,8-9,25H2,1-3H3,(H2,24,29)/t18-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50267836 (CHEMBL4105015) Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2Cl)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C22H26ClN5O/c1-21(2)18(8-9-22(21,3)25)27-19-15(20(24)29)11-26-28-12-13(10-17(19)28)14-6-4-5-7-16(14)23/h4-7,10-12,18,27H,8-9,25H2,1-3H3,(H2,24,29)/t18-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM443496 (US10660877, Example 73) Show SMILES CC(C)c1c([nH]c2cc(F)c(cc12)C1CCNCC1)-c1ccnc(C)c1 Show InChI InChI=1S/C22H26FN3/c1-13(2)21-18-11-17(15-4-7-24-8-5-15)19(23)12-20(18)26-22(21)16-6-9-25-14(3)10-16/h6,9-13,15,24,26H,4-5,7-8H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00049 BindingDB Entry DOI: 10.7270/Q2JH3R6P
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50168472 (CHEMBL3805348 | US9765060, Compound X) Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-15-9-5-8-14(22)16(15)21(30)29(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine				J Med Chem 60: 5193-5208 (2017) Article DOI: 10.1021/acs.jmedchem.7b00618 BindingDB Entry DOI: 10.7270/Q2WW7KVJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50267807 (CHEMBL4060536) Show SMILES Cc1ccc(cc1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H29N5O/c1-14-5-7-15(8-6-14)16-11-18-20(17(21(24)29)12-26-28(18)13-16)27-19-9-10-23(4,25)22(19,2)3/h5-8,11-13,19,27H,9-10,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50267837 (CHEMBL4060444) Show SMILES Cc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C22H28N6O/c1-13-5-6-14(10-25-13)15-9-17-19(16(20(23)29)11-26-28(17)12-15)27-18-7-8-22(4,24)21(18,2)3/h5-6,9-12,18,27H,7-8,24H2,1-4H3,(H2,23,29)/t18-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50267808 (CHEMBL4087655) Show SMILES Cc1cccc(c1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H29N5O/c1-14-6-5-7-15(10-14)16-11-18-20(17(21(24)29)12-26-28(18)13-16)27-19-8-9-23(4,25)22(19,2)3/h5-7,10-13,19,27H,8-9,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50267808 (CHEMBL4087655) Show SMILES Cc1cccc(c1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H29N5O/c1-14-6-5-7-15(10-14)16-11-18-20(17(21(24)29)12-26-28(18)13-16)27-19-8-9-23(4,25)22(19,2)3/h5-7,10-13,19,27H,8-9,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50267797 (CHEMBL4080797) Show SMILES COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C22H28N6O2/c1-21(2)17(7-8-22(21,3)24)27-19-15(20(23)29)11-26-28-12-14(9-16(19)28)13-5-6-18(30-4)25-10-13/h5-6,9-12,17,27H,7-8,24H2,1-4H3,(H2,23,29)/t17-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50267826 (CHEMBL4096145) Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C22H27N5O/c1-21(2)18(9-10-22(21,3)24)26-19-16(20(23)28)12-25-27-13-15(11-17(19)27)14-7-5-4-6-8-14/h4-8,11-13,18,26H,9-10,24H2,1-3H3,(H2,23,28)/t18-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM443500 (US10660877, Example 77) Show SMILES CC(C)c1c([nH]c2ccc(C3CCNCC3)c(F)c12)-c1cc(C)nc(C)c1 Show InChI InChI=1S/C23H28FN3/c1-13(2)20-21-19(27-23(20)17-11-14(3)26-15(4)12-17)6-5-18(22(21)24)16-7-9-25-10-8-16/h5-6,11-13,16,25,27H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00049 BindingDB Entry DOI: 10.7270/Q2JH3R6P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50267848 (CHEMBL4091582) Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(cc2)C#N)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C23H26N6O/c1-22(2)19(8-9-23(22,3)26)28-20-17(21(25)30)12-27-29-13-16(10-18(20)29)15-6-4-14(11-24)5-7-15/h4-7,10,12-13,19,28H,8-9,26H2,1-3H3,(H2,25,30)/t19-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50267840 (CHEMBL4062062) Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(Cl)cc2)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C22H26ClN5O/c1-21(2)18(8-9-22(21,3)25)27-19-16(20(24)29)11-26-28-12-14(10-17(19)28)13-4-6-15(23)7-5-13/h4-7,10-12,18,27H,8-9,25H2,1-3H3,(H2,24,29)/t18-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM442004 (US10660877, Example 31) Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)ncc1C Show InChI InChI=1S/C23H29N3/c1-14(2)22-20-12-18(17-7-9-24-10-8-17)5-6-21(20)26-23(22)19-11-16(4)25-13-15(19)3/h5-6,11-14,17,24,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00049 BindingDB Entry DOI: 10.7270/Q2JH3R6P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50035810 (CHEMBL3359927) Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r| Show InChI InChI=1S/C14H17FN4O/c1-14(15)6-2-5-11(14)18-12-9(13(16)20)8-17-19-7-3-4-10(12)19/h3-4,7-8,11,18H,2,5-6H2,1H3,(H2,16,20)/t11-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by filter assay				Bioorg Med Chem Lett 24: 5721-6 (2014) Article DOI: 10.1016/j.bmcl.2014.10.061 BindingDB Entry DOI: 10.7270/Q2D79D1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50239736 (CHEMBL4074315 | US10214537, Example 637) Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C21H20ClN7O2/c1-12(30)28-7-6-27(20(31)21(28,2)3)16-8-13(4-5-14(16)10-23)17-9-15(22)18-19(24)25-11-26-29(17)18/h4-5,8-9,11H,6-7H2,1-3H3,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine				J Med Chem 60: 5193-5208 (2017) Article DOI: 10.1021/acs.jmedchem.7b00618 BindingDB Entry DOI: 10.7270/Q2WW7KVJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50267827 (CHEMBL4076794) Show SMILES COc1cccc(c1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H29N5O2/c1-22(2)19(8-9-23(22,3)25)27-20-17(21(24)29)12-26-28-13-15(11-18(20)28)14-6-5-7-16(10-14)30-4/h5-7,10-13,19,27H,8-9,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50267839 (CHEMBL4076823) Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccc(Cl)c2)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C22H26ClN5O/c1-21(2)18(7-8-22(21,3)25)27-19-16(20(24)29)11-26-28-12-14(10-17(19)28)13-5-4-6-15(23)9-13/h4-6,9-12,18,27H,7-8,25H2,1-3H3,(H2,24,29)/t18-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50267848 (CHEMBL4091582) Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(cc2)C#N)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C23H26N6O/c1-22(2)19(8-9-23(22,3)26)28-20-17(21(25)30)12-27-29-13-16(10-18(20)29)15-6-4-14(11-24)5-7-15/h4-7,10,12-13,19,28H,8-9,26H2,1-3H3,(H2,25,30)/t19-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50267805 (CHEMBL4096795) Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(nc2)C#N)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C22H25N7O/c1-21(2)18(6-7-22(21,3)25)28-19-16(20(24)30)11-27-29-12-14(8-17(19)29)13-4-5-15(9-23)26-10-13/h4-5,8,10-12,18,28H,6-7,25H2,1-3H3,(H2,24,30)/t18-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50261794 (CHEMBL4065693) Show SMILES NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H21N5O2/c1-2-21(28)27-17-10-6-7-15(11-17)13-24-19-12-20(25-14-18(19)22(23)29)26-16-8-4-3-5-9-16/h2-12,14H,1,13H2,(H2,23,29)(H,27,28)(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development, Princeton, NJ 08543-4000, USA. Electronic address: james.kempson@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma32P]ATP by top-count liquid scintillation counting ...				Bioorg Med Chem Lett 27: 4622-4625 (2017) Article DOI: 10.1016/j.bmcl.2017.09.023 BindingDB Entry DOI: 10.7270/Q2X069HQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50533283 (CHEMBL4469521) Show SMILES CC(C)C(=O)N1C[C@H](O)C[C@H]1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r| Show InChI InChI=1S/C28H33N7O3/c1-17(2)28(37)33-15-21(36)13-24(33)18-4-3-5-19(12-18)25-14-22(26-27(29)30-16-32-35(25)26)23-6-9-31-34(23)20-7-10-38-11-8-20/h3-6,9,12,14,16-17,20-21,24,36H,7-8,10-11,13,15H2,1-2H3,(H2,29,30,32)/t21-,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay				Bioorg Med Chem Lett 26: 4256-60 (2016) Article DOI: 10.1016/j.bmcl.2016.07.047 BindingDB Entry DOI: 10.7270/Q2RN3CB5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50509867 (CHEMBL4549451) Show SMILES COc1ccc(cn1)-c1cc2c(N[C@H](CO)CC3CC3)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C20H23N5O3/c1-28-18-5-4-13(8-22-18)14-7-17-19(24-15(11-26)6-12-2-3-12)16(20(21)27)9-23-25(17)10-14/h4-5,7-10,12,15,24,26H,2-3,6,11H2,1H3,(H2,21,27)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK3 (unknown origin) using fluoresceinated peptide as substrate measured after 3 hrs by electrophoresis method				ACS Med Chem Lett 10: 306-311 (2019) Article DOI: 10.1021/acsmedchemlett.8b00508 BindingDB Entry DOI: 10.7270/Q2Z03CG8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM358021 (7-(3-(3-(Dimethylamino)oxetan-3-yl)phenyl)-5-(1-(t...) Show SMILES CN(C)C1(COC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 Show InChI InChI=1S/C25H29N7O2/c1-30(2)25(14-34-15-25)18-5-3-4-17(12-18)22-13-20(23-24(26)27-16-29-32(22)23)21-6-9-28-31(21)19-7-10-33-11-8-19/h3-6,9,12-13,16,19H,7-8,10-11,14-15H2,1-2H3,(H2,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay				Bioorg Med Chem Lett 26: 4256-60 (2016) Article DOI: 10.1016/j.bmcl.2016.07.047 BindingDB Entry DOI: 10.7270/Q2RN3CB5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM358021 (7-(3-(3-(Dimethylamino)oxetan-3-yl)phenyl)-5-(1-(t...) Show SMILES CN(C)C1(COC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 Show InChI InChI=1S/C25H29N7O2/c1-30(2)25(14-34-15-25)18-5-3-4-17(12-18)22-13-20(23-24(26)27-16-29-32(22)23)21-6-9-28-31(21)19-7-10-33-11-8-19/h3-6,9,12-13,16,19H,7-8,10-11,14-15H2,1-2H3,(H2,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay				Bioorg Med Chem Lett 26: 4256-60 (2016) Article DOI: 10.1016/j.bmcl.2016.07.047 BindingDB Entry DOI: 10.7270/Q2RN3CB5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50533283 (CHEMBL4469521) Show SMILES CC(C)C(=O)N1C[C@H](O)C[C@H]1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r| Show InChI InChI=1S/C28H33N7O3/c1-17(2)28(37)33-15-21(36)13-24(33)18-4-3-5-19(12-18)25-14-22(26-27(29)30-16-32-35(25)26)23-6-9-31-34(23)20-7-10-38-11-8-20/h3-6,9,12,14,16-17,20-21,24,36H,7-8,10-11,13,15H2,1-2H3,(H2,29,30,32)/t21-,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay				Bioorg Med Chem Lett 26: 4256-60 (2016) Article DOI: 10.1016/j.bmcl.2016.07.047 BindingDB Entry DOI: 10.7270/Q2RN3CB5
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM21958 (2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...) Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(C)c1 Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00049 BindingDB Entry DOI: 10.7270/Q2JH3R6P
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50239744 (CHEMBL4071965 | US10214537, Example 643) Show SMILES C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C23H22F3N7O2/c1-12-10-31(13(2)34)22(3,4)21(35)32(12)17-7-14(5-6-15(17)9-27)18-8-16(23(24,25)26)19-20(28)29-11-30-33(18)19/h5-8,11-12H,10H2,1-4H3,(H2,28,29,30)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...				J Med Chem 60: 5193-5208 (2017) Article DOI: 10.1021/acs.jmedchem.7b00618 BindingDB Entry DOI: 10.7270/Q2WW7KVJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50267798 (CHEMBL4091096) Show SMILES CCOc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H30N6O2/c1-5-31-19-7-6-14(11-26-19)15-10-17-20(16(21(24)30)12-27-29(17)13-15)28-18-8-9-23(4,25)22(18,2)3/h6-7,10-13,18,28H,5,8-9,25H2,1-4H3,(H2,24,30)/t18-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50239752 (CHEMBL4067315 | US10214537, Example 585) Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C21H23ClN6O2/c1-12-5-6-14(17-10-15(22)18-19(23)24-11-25-28(17)18)9-16(12)26-7-8-27(13(2)29)21(3,4)20(26)30/h5-6,9-11H,7-8H2,1-4H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine				J Med Chem 60: 5193-5208 (2017) Article DOI: 10.1021/acs.jmedchem.7b00618 BindingDB Entry DOI: 10.7270/Q2WW7KVJ
					More data for this Ligand-Target Pair

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