Compile Data Set for Download or QSAR

Found 1039 hits with Last Name = 'corrionero' and Initial = 'a'   

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
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50613087 (CHEMBL5091238) Show SMILES O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2ncsc2c1 |c:17,TLB:8:9:13:7.12.6,THB:8:7:14.9.10:13,10:9:12.11.13:6,10:11:14.9.8:6| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PDB UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50364777 (CHEMBL1952142) Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C19H21F3N6O2/c1-29-15-10-16(24-11-12-5-7-23-8-6-12)25-18-17(15)26-27-28(18)13-3-2-4-14(9-13)30-19(20,21)22/h2-4,9-10,12,23H,5-8,11H2,1H3,(H,24,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM3				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
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Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364777 (CHEMBL1952142) Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C19H21F3N6O2/c1-29-15-10-16(24-11-12-5-7-23-8-6-12)25-18-17(15)26-27-28(18)13-3-2-4-14(9-13)30-19(20,21)22/h2-4,9-10,12,23H,5-8,11H2,1H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50583755 (CHEMBL5070553) Show SMILES Cc1nc2ccc(nc2n1CC(F)(F)F)-c1cc(N)nc(N)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50530417 (CHEMBL4441878) Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1 Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50530417 (CHEMBL4441878) Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1 Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM25036 (CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...) Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50613087 (CHEMBL5091238) Show SMILES O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2ncsc2c1 |c:17,TLB:8:9:13:7.12.6,THB:8:7:14.9.10:13,10:9:12.11.13:6,10:11:14.9.8:6| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PDB UniChem		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538084 (CHEMBL4647659) Show SMILES CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C25H27FN6O4/c1-14(2)36-16-5-6-18(26)17(10-16)19-12-29-23(27)22(30-19)24(33)31-20-11-28-8-7-21(20)32-9-3-4-15(13-32)25(34)35/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H2,27,29)(H,31,33)(H,34,35)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM293424 (US10106527, Compound 10 | US10106527, Compound 142...) Show SMILES CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C24H25N7O/c1-29-7-9-31(10-8-29)23-13-18(5-6-25-23)24(32)28-22-12-20-11-17(3-4-19(20)14-26-22)21-15-27-30(2)16-21/h3-6,11-16H,7-10H2,1-2H3,(H,26,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364778 (CHEMBL1952143) Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(c1)N(C)C Show InChI InChI=1S/C20H27N7O/c1-26(2)15-5-4-6-16(11-15)27-20-19(24-25-27)17(28-3)12-18(23-20)22-13-14-7-9-21-10-8-14/h4-6,11-12,14,21H,7-10,13H2,1-3H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385170 (US10287267, Compound 330 | US10508099, Compound 33...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1 Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50613087 (CHEMBL5091238) Show SMILES O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2ncsc2c1 |c:17,TLB:8:9:13:7.12.6,THB:8:7:14.9.10:13,10:9:12.11.13:6,10:11:14.9.8:6| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PDB UniChem		n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50335638 (5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50097869 (CHEMBL3589662) Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(I)cccc3c12 Show InChI InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50364778 (CHEMBL1952143) Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(c1)N(C)C Show InChI InChI=1S/C20H27N7O/c1-26(2)15-5-4-6-16(11-15)27-20-19(24-25-27)17(28-3)12-18(23-20)22-13-14-7-9-21-10-8-14/h4-6,11-12,14,21H,7-10,13H2,1-3H3,(H,22,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM3				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50613085 (CHEMBL5081787) Show SMILES Clc1cccc(Cl)c1NC1=NC(=O)\C(S1)=C\c1ccc2nccnc2c1 |t:10| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50335638 (5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50583755 (CHEMBL5070553) Show SMILES Cc1nc2ccc(nc2n1CC(F)(F)F)-c1cc(N)nc(N)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50335638 (5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM25036 (CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...) Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50110183 (Abemaciclib | LY-2835219 | US10626107, Example LY2...) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars		n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM293424 (US10106527, Compound 10 | US10106527, Compound 142...) Show SMILES CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C24H25N7O/c1-29-7-9-31(10-8-29)23-13-18(5-6-25-23)24(32)28-22-12-20-11-17(3-4-19(20)14-26-22)21-15-27-30(2)16-21/h3-6,11-16H,7-10H2,1-2H3,(H,26,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM293424 (US10106527, Compound 10 | US10106527, Compound 142...) Show SMILES CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C24H25N7O/c1-29-7-9-31(10-8-29)23-13-18(5-6-25-23)24(32)28-22-12-20-11-17(3-4-19(20)14-26-22)21-15-27-30(2)16-21/h3-6,11-16H,7-10H2,1-2H3,(H,26,28,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM25036 (CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...) Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
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Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50538084 (CHEMBL4647659) Show SMILES CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C25H27FN6O4/c1-14(2)36-16-5-6-18(26)17(10-16)19-12-29-23(27)22(30-19)24(33)31-20-11-28-8-7-21(20)32-9-3-4-15(13-32)25(34)35/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H2,27,29)(H,31,33)(H,34,35)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364813 (CHEMBL1952126) Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NCC3CC4(C3)CCNCC4)nc12 Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)31-16-3-1-2-15(10-16)30-19-17(28-29-30)4-5-18(27-19)26-13-14-11-20(12-14)6-8-25-9-7-20/h1-5,10,14,25H,6-9,11-13H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM293424 (US10106527, Compound 10 | US10106527, Compound 142...) Show SMILES CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C24H25N7O/c1-29-7-9-31(10-8-29)23-13-18(5-6-25-23)24(32)28-22-12-20-11-17(3-4-19(20)14-26-22)21-15-27-30(2)16-21/h3-6,11-16H,7-10H2,1-2H3,(H,26,28,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538084 (CHEMBL4647659) Show SMILES CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C25H27FN6O4/c1-14(2)36-16-5-6-18(26)17(10-16)19-12-29-23(27)22(30-19)24(33)31-20-11-28-8-7-21(20)32-9-3-4-15(13-32)25(34)35/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H2,27,29)(H,31,33)(H,34,35)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50335638 (5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50583755 (CHEMBL5070553) Show SMILES Cc1nc2ccc(nc2n1CC(F)(F)F)-c1cc(N)nc(N)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50613085 (CHEMBL5081787) Show SMILES Clc1cccc(Cl)c1NC1=NC(=O)\C(S1)=C\c1ccc2nccnc2c1 |t:10| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM293424 (US10106527, Compound 10 | US10106527, Compound 142...) Show SMILES CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C24H25N7O/c1-29-7-9-31(10-8-29)23-13-18(5-6-25-23)24(32)28-22-12-20-11-17(3-4-19(20)14-26-22)21-15-27-30(2)16-21/h3-6,11-16H,7-10H2,1-2H3,(H,26,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385170 (US10287267, Compound 330 | US10508099, Compound 33...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1 Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50571338 (CHEMBL4873449) Show SMILES Oc1ccc(cc1)-c1n[nH]c2ncc(cc12)-c1ccc(O)c(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM385170 (US10287267, Compound 330 | US10508099, Compound 33...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1 Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50530417 (CHEMBL4441878) Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1 Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50538084 (CHEMBL4647659) Show SMILES CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C25H27FN6O4/c1-14(2)36-16-5-6-18(26)17(10-16)19-12-29-23(27)22(30-19)24(33)31-20-11-28-8-7-21(20)32-9-3-4-15(13-32)25(34)35/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H2,27,29)(H,31,33)(H,34,35)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364773 (CHEMBL1952134) Show SMILES CN(C)c1cccc(c1)-n1nnc2ccc(NCC3CCNCC3)nc12 Show InChI InChI=1S/C19H25N7/c1-25(2)15-4-3-5-16(12-15)26-19-17(23-24-26)6-7-18(22-19)21-13-14-8-10-20-11-9-14/h3-7,12,14,20H,8-11,13H2,1-2H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50613086 (CHEMBL5283849) Show SMILES O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:12| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50613085 (CHEMBL5081787) Show SMILES Clc1cccc(Cl)c1NC1=NC(=O)\C(S1)=C\c1ccc2nccnc2c1 |t:10| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50538084 (CHEMBL4647659) Show SMILES CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C25H27FN6O4/c1-14(2)36-16-5-6-18(26)17(10-16)19-12-29-23(27)22(30-19)24(33)31-20-11-28-8-7-21(20)32-9-3-4-15(13-32)25(34)35/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H2,27,29)(H,31,33)(H,34,35)/t15-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50571338 (CHEMBL4873449) Show SMILES Oc1ccc(cc1)-c1n[nH]c2ncc(cc12)-c1ccc(O)c(O)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50613087 (CHEMBL5091238) Show SMILES O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2ncsc2c1 |c:17,TLB:8:9:13:7.12.6,THB:8:7:14.9.10:13,10:9:12.11.13:6,10:11:14.9.8:6| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PDB UniChem	PDB	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364779 (CHEMBL1952144) Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2cc(Cl)c(NCC3CCNCC3)nc12 Show InChI InChI=1S/C18H18ClF3N6O/c19-14-9-15-17(25-16(14)24-10-11-4-6-23-7-5-11)28(27-26-15)12-2-1-3-13(8-12)29-18(20,21)22/h1-3,8-9,11,23H,4-7,10H2,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385079 (US10287267, Compound 1086 | US10287267, Compound 1...) Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C23H29N5O/c1-16(2)14-28-8-6-17(7-9-28)23(29)26-22-11-20-10-18(4-5-19(20)12-24-22)21-13-25-27(3)15-21/h4-5,10-13,15-17H,6-9,14H2,1-3H3,(H,24,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364793 (CHEMBL1952113) Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NCC3CCNCC3)nc12 Show InChI InChI=1S/C18H19F3N6O/c19-18(20,21)28-14-3-1-2-13(10-14)27-17-15(25-26-27)4-5-16(24-17)23-11-12-6-8-22-9-7-12/h1-5,10,12,22H,6-9,11H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50335638 (5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM25036 (CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...) Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50613084 (CHEMBL5279705) Show SMILES COC1=CC2C3C(NC2=O)=Cc2ccc(OC)cc2C3=C1OC |c:10,22,t:2| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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