Compile Data Set for Download or QSAR

Found 5689 hits with Last Name = 'vasbinder' and Initial = 'm'   

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
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454525 (US10717746, Example 8) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCOc23)c(Cl)cn1 |r| Show InChI InChI=1S/C20H24ClN5O3/c1-12(27)24-14-5-2-4-13(8-14)19(28)25-18-9-15(17(21)11-22-18)16-10-23-26-6-3-7-29-20(16)26/h9-11,13-14H,2-8H2,1H3,(H,24,27)(H,22,25,28)/t13-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 | US10717746, Example 14 | US2023041...) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r| Show InChI InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454533 (US10717746, Example 16) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1cnn2CC(C)(C)Cc12 |r| Show InChI InChI=1S/C22H29N5O2/c1-14(28)25-17-6-4-5-16(9-17)21(29)26-20-10-15(7-8-23-20)18-12-24-27-13-22(2,3)11-19(18)27/h7-8,10,12,16-17H,4-6,9,11,13H2,1-3H3,(H,25,28)(H,23,26,29)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454535 (US10717746, Example 18) Show SMILES CC1(C)Cc2c(cnn2C1)-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2COC2)c1 |r| Show InChI InChI=1S/C24H31N5O3/c1-24(2)10-20-19(11-26-29(20)14-24)15-6-7-25-21(9-15)28-22(30)16-4-3-5-18(8-16)27-23(31)17-12-32-13-17/h6-7,9,11,16-18H,3-5,8,10,12-14H2,1-2H3,(H,27,31)(H,25,28,30)/t16-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454536 (US10717746, Example 19) Show SMILES CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2COC2)ncc1Cl |r| Show InChI InChI=1S/C24H30ClN5O3/c1-24(2)8-20-18(9-27-30(20)13-24)17-7-21(26-10-19(17)25)29-22(31)14-4-3-5-16(6-14)28-23(32)15-11-33-12-15/h7,9-10,14-16H,3-6,8,11-13H2,1-2H3,(H,28,32)(H,26,29,31)/t14-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454536 (US10717746, Example 19) Show SMILES CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2COC2)ncc1Cl |r| Show InChI InChI=1S/C24H30ClN5O3/c1-24(2)8-20-18(9-27-30(20)13-24)17-7-21(26-10-19(17)25)29-22(31)14-4-3-5-16(6-14)28-23(32)15-11-33-12-15/h7,9-10,14-16H,3-6,8,11-13H2,1-2H3,(H,28,32)(H,26,29,31)/t14-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454537 (US10717746, Example 20) Show SMILES C[C@H](O)C(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r| Show InChI InChI=1S/C23H30ClN5O3/c1-13(30)21(31)27-15-6-4-5-14(7-15)22(32)28-20-8-16(18(24)11-25-20)17-10-26-29-12-23(2,3)9-19(17)29/h8,10-11,13-15,30H,4-7,9,12H2,1-3H3,(H,27,31)(H,25,28,32)/t13-,14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454537 (US10717746, Example 20) Show SMILES C[C@H](O)C(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r| Show InChI InChI=1S/C23H30ClN5O3/c1-13(30)21(31)27-15-6-4-5-14(7-15)22(32)28-20-8-16(18(24)11-25-20)17-10-26-29-12-23(2,3)9-19(17)29/h8,10-11,13-15,30H,4-7,9,12H2,1-3H3,(H,27,31)(H,25,28,32)/t13-,14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454538 (US10717746, Example 21) Show SMILES CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(O)CC2)ncc1Cl |r| Show InChI InChI=1S/C24H30ClN5O3/c1-23(2)10-19-17(11-27-30(19)13-23)16-9-20(26-12-18(16)25)29-21(31)14-4-3-5-15(8-14)28-22(32)24(33)6-7-24/h9,11-12,14-15,33H,3-8,10,13H2,1-2H3,(H,28,32)(H,26,29,31)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454538 (US10717746, Example 21) Show SMILES CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(O)CC2)ncc1Cl |r| Show InChI InChI=1S/C24H30ClN5O3/c1-23(2)10-19-17(11-27-30(19)13-23)16-9-20(26-12-18(16)25)29-21(31)14-4-3-5-15(8-14)28-22(32)24(33)6-7-24/h9,11-12,14-15,33H,3-8,10,13H2,1-2H3,(H,28,32)(H,26,29,31)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454539 (US10717746, Example 22) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnc3CC(C)(C)Cn23)c(Cl)cn1 |r| Show InChI InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-19-8-16(17(23)10-24-19)18-11-25-20-9-22(2,3)12-28(18)20/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454540 (US10717746, Example 23) Show SMILES CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2CCOC2)ncc1Cl |r| Show InChI InChI=1S/C25H32ClN5O3/c1-25(2)10-21-19(11-28-31(21)14-25)18-9-22(27-12-20(18)26)30-23(32)15-4-3-5-17(8-15)29-24(33)16-6-7-34-13-16/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3,(H,29,33)(H,27,30,32)/t15-,16+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454540 (US10717746, Example 23) Show SMILES CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2CCOC2)ncc1Cl |r| Show InChI InChI=1S/C25H32ClN5O3/c1-25(2)10-21-19(11-28-31(21)14-25)18-9-22(27-12-20(18)26)30-23(32)15-4-3-5-17(8-15)29-24(33)16-6-7-34-13-16/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3,(H,29,33)(H,27,30,32)/t15-,16+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454541 (US10717746, Example 24) Show SMILES CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@H]2CCOC2)ncc1Cl |r| Show InChI InChI=1S/C25H32ClN5O3/c1-25(2)10-21-19(11-28-31(21)14-25)18-9-22(27-12-20(18)26)30-23(32)15-4-3-5-17(8-15)29-24(33)16-6-7-34-13-16/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3,(H,29,33)(H,27,30,32)/t15-,16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454542 (US10717746, Example 25 | US10717746, Example 84) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(F)cn1 |r| Show InChI InChI=1S/C22H28FN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454543 (US10717746, Example 26) Show SMILES CC1(C)Cc2c(cnn2C1)-c1ccnc(NC(=O)[C@@H]2C[C@H](O)C2)c1 |r,wD:18.19,20.22,(.99,4.74,;-.35,3.97,;.99,3.2,;-.82,2.51,;-2.36,2.51,;-3.61,1.6,;-4.86,2.51,;-4.38,3.97,;-2.84,3.97,;-1.59,4.88,;-3.61,.06,;-4.94,-.71,;-4.94,-2.25,;-3.61,-3.02,;-2.28,-2.25,;-.94,-3.02,;.39,-2.25,;.39,-.71,;1.72,-3.02,;3.21,-2.62,;3.61,-4.11,;4.94,-4.88,;2.12,-4.51,;-2.28,-.71,)| Show InChI InChI=1S/C18H22N4O2/c1-18(2)8-15-14(9-20-22(15)10-18)11-3-4-19-16(7-11)21-17(24)12-5-13(23)6-12/h3-4,7,9,12-13,23H,5-6,8,10H2,1-2H3,(H,19,21,24)/t12-,13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454544 (US10717746, Example 27) Show SMILES CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@@H]2C[C@H](O)C2)ncc1Cl |r,wD:16.17,18.20,(1.65,4.74,;.32,3.97,;1.65,3.2,;-.16,2.51,;-1.7,2.51,;-2.94,1.6,;-4.19,2.51,;-3.71,3.97,;-2.17,3.97,;-.93,4.88,;-2.94,.06,;-1.61,-.71,;-1.61,-2.25,;-.28,-3.02,;1.06,-2.25,;1.06,-.71,;2.39,-3.02,;3.88,-2.62,;4.28,-4.11,;5.61,-4.88,;2.79,-4.51,;-2.94,-3.02,;-4.28,-2.25,;-4.28,-.71,;-5.61,.06,)| Show InChI InChI=1S/C18H21ClN4O2/c1-18(2)6-15-13(7-21-23(15)9-18)12-5-16(20-8-14(12)19)22-17(25)10-3-11(24)4-10/h5,7-8,10-11,24H,3-4,6,9H2,1-2H3,(H,20,22,25)/t10-,11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454548 (US10717746, Example 31) Show SMILES Clc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)cc1-c1cnn2CCCCc12 |r| Show InChI InChI=1S/C22H25ClN6O2/c23-18-13-25-20(11-16(18)17-12-26-29-9-2-1-6-19(17)29)28-22(31)14-4-3-5-15(10-14)27-21(30)7-8-24/h11-15H,1-7,9-10H2,(H,27,30)(H,25,28,31)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454549 (US10717746, Example 31a) Show SMILES CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r| Show InChI InChI=1S/C24H32ClN5O3/c1-24(2,3)33-23(32)28-16-8-6-7-15(11-16)22(31)29-21-12-17(19(25)14-26-21)18-13-27-30-10-5-4-9-20(18)30/h12-16H,4-11H2,1-3H3,(H,28,32)(H,26,29,31)/t15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454551 (US10717746, Example 32) Show SMILES OC1(CC1)C(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r| Show InChI InChI=1S/C23H28ClN5O3/c24-18-13-25-20(11-16(18)17-12-26-29-9-2-1-6-19(17)29)28-21(30)14-4-3-5-15(10-14)27-22(31)23(32)7-8-23/h11-15,32H,1-10H2,(H,27,31)(H,25,28,30)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454552 (US10717746, Example 33 | US10717746, Example 35) Show SMILES Clc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2CCOC2)cc1-c1cnn2CCCCc12 |r| Show InChI InChI=1S/C24H30ClN5O3/c25-20-13-26-22(11-18(20)19-12-27-30-8-2-1-6-21(19)30)29-23(31)15-4-3-5-17(10-15)28-24(32)16-7-9-33-14-16/h11-13,15-17H,1-10,14H2,(H,28,32)(H,26,29,31)/t15-,16+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50288443 (CHEMBL4166989) Show SMILES [H][C@]12CN(c3cc(Nc4ncc(C)c(Nc5cccc(CO)c5)n4)cc(c3)S(C)(=O)=O)[C@]([H])(CN1C)C2 |r| Show InChI InChI=1S/C25H30N6O3S/c1-16-12-26-25(29-24(16)27-18-6-4-5-17(7-18)15-32)28-19-8-20(11-23(9-19)35(3,33)34)31-14-21-10-22(31)13-30(21)2/h4-9,11-12,21-22,32H,10,13-15H2,1-3H3,(H2,26,27,28,29)/t21-,22-/m0/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	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM264225 ((2R)-3-methoxy-N- (3-{2-[(3-methoxy- 1-methyl-1H-p...) Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, PV4774, Carlsbad, Calif.), JAK2 (amino acid...				US Patent US10654835 (2020) BindingDB Entry DOI: 10.7270/Q29C71F3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM264231 ((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, PV4774, Carlsbad, Calif.), JAK2 (amino acid...				US Patent US10654835 (2020) BindingDB Entry DOI: 10.7270/Q29C71F3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM264233 ((2R)-N-(3-{2- [(1,3-dimethyl-1H- pyrazol-4-yl)amin...) Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r| Show InChI InChI=1S/C26H32FN9O2/c1-16-21(14-35(3)33-16)31-26-29-13-19(27)23(32-26)18-12-28-24-17(18)6-5-7-20(24)30-25(37)22(15-38-4)36-10-8-34(2)9-11-36/h5-7,12-14,22,28H,8-11,15H2,1-4H3,(H,30,37)(H,29,31,32)/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, PV4774, Carlsbad, Calif.), JAK2 (amino acid...				US Patent US10654835 (2020) BindingDB Entry DOI: 10.7270/Q29C71F3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM264225 ((2R)-3-methoxy-N- (3-{2-[(3-methoxy- 1-methyl-1H-p...) Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...				US Patent US10167276 (2019) BindingDB Entry DOI: 10.7270/Q20R9RG0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM264231 ((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...				US Patent US10167276 (2019) BindingDB Entry DOI: 10.7270/Q20R9RG0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM264233 ((2R)-N-(3-{2- [(1,3-dimethyl-1H- pyrazol-4-yl)amin...) Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r| Show InChI InChI=1S/C26H32FN9O2/c1-16-21(14-35(3)33-16)31-26-29-13-19(27)23(32-26)18-12-28-24-17(18)6-5-7-20(24)30-25(37)22(15-38-4)36-10-8-34(2)9-11-36/h5-7,12-14,22,28H,8-11,15H2,1-4H3,(H,30,37)(H,29,31,32)/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...				US Patent US10167276 (2019) BindingDB Entry DOI: 10.7270/Q20R9RG0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50288372 (CHEMBL4173429) Show SMILES Cc1cnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCNCC2)nc1Nc1cccc(CO)c1 Show InChI InChI=1S/C23H28N6O3S/c1-16-14-25-23(28-22(16)26-18-5-3-4-17(10-18)15-30)27-19-11-20(29-8-6-24-7-9-29)13-21(12-19)33(2,31)32/h3-5,10-14,24,30H,6-9,15H2,1-2H3,(H2,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50288378 (CHEMBL4162065) Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(Br)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O Show InChI InChI=1S/C23H27BrN6O3S/c1-29-6-8-30(9-7-29)19-11-18(12-20(13-19)34(2,32)33)27-23-25-14-21(24)22(28-23)26-17-5-3-4-16(10-17)15-31/h3-5,10-14,31H,6-9,15H2,1-2H3,(H2,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description GRAC: human IMPase 1 inhibitor				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50288437 (CHEMBL4165758) Show SMILES Cc1cnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)nc1Nc1cccc(CO)c1 Show InChI InChI=1S/C26H32N6O3/c1-19-17-27-26(30-25(19)28-21-4-2-3-20(13-21)18-33)29-22-14-23(31-5-9-34-10-6-31)16-24(15-22)32-7-11-35-12-8-32/h2-4,13-17,33H,5-12,18H2,1H3,(H2,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description GRAC: human PDE2A selective inhibitor				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50288438 (CHEMBL4173676) Show SMILES CN1CCN(CC1)c1cc(Nc2nccc(Nc3ccc(F)c(Cl)c3F)n2)cc(c1)S(C)(=O)=O Show InChI InChI=1S/C22H23ClF2N6O2S/c1-30-7-9-31(10-8-30)15-11-14(12-16(13-15)34(2,32)33)27-22-26-6-5-19(29-22)28-18-4-3-17(24)20(23)21(18)25/h3-6,11-13H,7-10H2,1-2H3,(H2,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50288511 (CHEMBL4171692) Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O Show InChI InChI=1S/C24H30N6O3S/c1-17-15-25-24(28-23(17)26-19-6-4-5-18(11-19)16-31)27-20-12-21(14-22(13-20)34(3,32)33)30-9-7-29(2)8-10-30/h4-6,11-15,31H,7-10,16H2,1-3H3,(H2,25,26,27,28)	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	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50288439 (CHEMBL4163817) Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(Cl)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O Show InChI InChI=1S/C23H27ClN6O3S/c1-29-6-8-30(9-7-29)19-11-18(12-20(13-19)34(2,32)33)27-23-25-14-21(24)22(28-23)26-17-5-3-4-16(10-17)15-31/h3-5,10-14,31H,6-9,15H2,1-2H3,(H2,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM264225 ((2R)-3-methoxy-N- (3-{2-[(3-methoxy- 1-methyl-1H-p...) Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	7.3	n/a
ASTRAZENECA AB US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...				US Patent US9714236 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34PC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM264231 ((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	7.3	n/a
ASTRAZENECA AB US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...				US Patent US9714236 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34PC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50243624 ((R)-1-(3-(azepan-3-ylcarbamoyl)-5-phenylthiophen-2...) Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@@H]1CCCCNC1)-c1ccccc1 |r| Show InChI InChI=1S/C18H22N4O2S/c19-18(24)22-17-14(10-15(25-17)12-6-2-1-3-7-12)16(23)21-13-8-4-5-9-20-11-13/h1-3,6-7,10,13,20H,4-5,8-9,11H2,(H,21,23)(H3,19,22,24)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50243148 (1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(thiophen-2-y...) Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1cccs1 |r| Show InChI InChI=1S/C15H18N4O2S2/c16-15(21)19-14-10(7-12(23-14)11-4-2-6-22-11)13(20)18-9-3-1-5-17-8-9/h2,4,6-7,9,17H,1,3,5,8H2,(H,18,20)(H3,16,19,21)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50588266 (CHEMBL5181709) Show SMILES CC(C)n1c(C)nc2ccc(cc12)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50588290 (CHEMBL5191725) Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCNCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50588255 (CHEMBL5170195) Show SMILES COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM167534 (US9073922, 18 | US9796708, Example 18) Show SMILES COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1 Show InChI InChI=1S/C19H20FN3O/c1-24-18-10-13(20)2-3-15(18)14-6-9-22-19-16(14)11-17(23-19)12-4-7-21-8-5-12/h2-3,6,9-12,21H,4-5,7-8H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50588261 (CHEMBL5170524) Show SMILES COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1)C(=O)N1CCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50588262 (CHEMBL5197170) Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCCC2)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50588263 (CHEMBL5198038) Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50588264 (CHEMBL5207871) Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCC2)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50588263 (CHEMBL5198038) Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50588272 (CHEMBL5180640) Show SMILES COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CCO)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM264225 ((2R)-3-methoxy-N- (3-{2-[(3-methoxy- 1-methyl-1H-p...) Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...				Citation and Details BindingDB Entry DOI: 10.7270/Q29G5R1P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM264233 ((2R)-N-(3-{2- [(1,3-dimethyl-1H- pyrazol-4-yl)amin...) Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r| Show InChI InChI=1S/C26H32FN9O2/c1-16-21(14-35(3)33-16)31-26-29-13-19(27)23(32-26)18-12-28-24-17(18)6-5-7-20(24)30-25(37)22(15-38-4)36-10-8-34(2)9-11-36/h5-7,12-14,22,28H,8-11,15H2,1-4H3,(H,30,37)(H,29,31,32)/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	7.3	n/a
ASTRAZENECA AB US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...				US Patent US9714236 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34PC
					More data for this Ligand-Target Pair

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