Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'bui' and Initial = 'c'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445231 (CHEMBL3102950) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1 Show InChI InChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445230 (CHEMBL3102951) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1O Show InChI InChI=1S/C19H14N2O3/c22-13-3-1-11(2-4-13)17-10-21-19-16(17)7-12(9-20-19)15-6-5-14(23)8-18(15)24/h1-10,22-24H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445229 (CHEMBL3102953) Show SMILES Oc1ccc(c(O)c1)-c1cnc2[nH]cc(-c3ccc(O)c(O)c3)c2c1 Show InChI InChI=1S/C19H14N2O4/c22-12-2-3-13(17(24)7-12)11-5-14-15(9-21-19(14)20-8-11)10-1-4-16(23)18(25)6-10/h1-9,22-25H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445227 (CHEMBL3102955) Show SMILES Oc1ccc(cc1O)-c1c[nH]c2ncc(cc12)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H14N2O4/c22-15-3-1-10(6-17(15)24)12-5-13-14(9-21-19(13)20-8-12)11-2-4-16(23)18(25)7-11/h1-9,22-25H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445228 (CHEMBL3102954) Show SMILES Oc1ccc(O)c(c1)-c1cnc2[nH]cc(-c3ccc(O)c(O)c3)c2c1 Show InChI InChI=1S/C19H14N2O4/c22-12-2-4-16(23)13(7-12)11-5-14-15(9-21-19(14)20-8-11)10-1-3-17(24)18(25)6-10/h1-9,22-25H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532308 (JDM666A | N-(2,6-dimethylphenyl-2-[4-[4-[2-ethylam...) Show SMILES CCNCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3CCc4c(ccn4-c3n2)C(=O)Nc2c(C)cccc2C)c(OC)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532304 (JDM697A | N-[1-[2-(2-ethoxyethoxy)ethyl]-3,5-dieth...) Show SMILES CCOCCOCCn1nc(CC)c(NC(=O)c2ccn-3c2CCc2cnc(Nc4ccc(cc4OC)N4CCN(CC4)C(=O)COC)nc-32)c1CC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532294 (JDM0684A | N-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy...) Show SMILES CCc1nn(CCOCCOCCOC)c(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(CC3)C(=O)COC)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532306 (JDM703A | N-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)...) Show SMILES CCNCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3CCc4c(ccn4-c3n2)C(=O)Nc2c(CC)nn(CCOCCOCCOC)c2CC)c(OC)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532285 (N-(2,6-diethylphenyl)-8-(2-methoxy-4-piperazin-1-y...) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCNCC3)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM258443 (US11208696, Example 6 | US9512130, 1) Show SMILES COc1ccc(Oc2cc(NCC3COC3)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)cc1F Show InChI InChI=1S/C28H28FN5O4/c1-16-9-18(3-7-21(16)28(35)32-19-4-5-19)24-13-31-27-23(30-12-17-14-37-15-17)11-26(33-34(24)27)38-20-6-8-25(36-2)22(29)10-20/h3,6-11,13,17,19,30H,4-5,12,14-15H2,1-2H3,(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532292 (JGS79C | N-(2,6-diethylphenyl)-2-[2-methoxy-4-(4-m...) Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532289 (JGS439C | N-(2,6-dimethylphenyl)-2-[2-methoxy-4-(t...) Show SMILES COc1cc(ccc1Nc1ncc2CCc3c(ccn3-c2n1)C(=O)Nc1c(C)cccc1C)C(=O)NC1CCOCC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532301 (JDM677A | N-[1-[2-[2-(2-methoxyethoxy)ethoxyethyl]...) Show SMILES COCCOCCOCCn1nc(C)c(NC(=O)c2ccn-3c2CCc2cnc(Nc4ccc(cc4OC)N4CCN(CC4)C(=O)COC)nc-32)c1C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50349102 (CHEMBL1236095 | US11208696, Example 3) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21 Show InChI InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM258445 (US11208696, Example 5 | US9512130, 3) Show SMILES COc1ccc(Oc2cc(NCC3CCOCC3)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F Show InChI InChI=1S/C30H31F2N5O4/c1-17-13-19(3-6-21(17)30(38)35-20-4-5-20)23-16-34-29-22(33-15-18-9-11-40-12-10-18)14-26(36-37(23)29)41-25-8-7-24(39-2)27(31)28(25)32/h3,6-8,13-14,16,18,20,33H,4-5,9-12,15H2,1-2H3,(H,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532307 (2-[4-[4-[(2R)-azetidine-2-carbonyl]piperazin-1-yl]...) Show SMILES CCc1nn(CCOCCOC)c(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(CC3)C(=O)[C@H]3CCN3)nc-21 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532288 (N-(2,6-dimethylphenyl)-2-(2-methyl-4-piperazin-1-y...) Show SMILES Cc1cccc(C)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3C)N3CCNCC3)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532303 (JDM713A | N-[3,5-diethyl-1-[2-(2-methoxyethoxy)eth...) Show SMILES CCNCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3CCc4c(ccn4-c3n2)C(=O)Nc2c(CC)nn(CCOCCOCC)c2CC)c(OC)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532290 (JDM0641A | N-[1-[2-[2-(2-methoxyethoxyethoxy]ethyl...) Show SMILES COCCOCCOCCn1nc(C)c(NC(=O)c2ccn-3c2CCc2cnc(Nc4ccc(cc4OC)-c4c(C)nn(C)c4C)nc-32)c1C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532309 (JGS0715B | N-cyclopropyl-4-[6-(2,3-difluoro-4-meth...) Show SMILES COc1ccc(Oc2nc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532305 (JDM636A | N-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)...) Show SMILES CCc1nn(CCOCCOCCOC)c(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532291 (JDM0443A | N-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethy...) Show SMILES COCCOCCOCCn1nc(C)c(NC(=O)c2ccn-3c2CCc2cnc(Nc4ccc(cc4OC)N4CCN(C)CC4)nc-32)c1C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532302 (JDM711A | N-[3,5-diethyl-1-[2-(2-methoxyethoxy eth...) Show SMILES CCc1nn(CCOCCOC)c(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(CC3)C(=O)C3(C)CNC3)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532293 (N-(3,5-diethyl-1H-pyrazol-4-yl)-2-[2-(difluorometh...) Show SMILES CCc1n[nH]c(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC(F)F)N3CCN(C)CC3)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532295 (JDM0466A | N-[3,5-diethyl-1-[2-(2-methoxy)ethyl]py...) Show SMILES CCc1nn(CCOCCOC)c(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532297 (JDM323A | N-(3,5-dimethyl-1H-pyrazol-4-≡(1-2...) Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2CCc3c(ccn3-c2n1)C(=O)Nc1c(C)n[nH]c1C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532298 (N-(2,6-dimethylphenyl)-2-[2-methoxy-4-[4-(2-methox...) Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3CCc4c(ccn4-c3n2)C(=O)Nc2c(C)cccc2C)c(OC)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50020938 (CHEMBL3287301) Show SMILES OC(=O)c1nc(sc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C30H26N4O4S2/c35-27(33-29-31-23-12-4-5-13-24(23)39-29)21-11-6-8-19-15-16-34(18-22(19)21)30-32-26(28(36)37)25(40-30)14-7-17-38-20-9-2-1-3-10-20/h1-6,8-13H,7,14-18H2,(H,36,37)(H,31,33,35)	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	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by AlphaScreen assay				ACS Med Chem Lett 5: 662-7 (2014) Article DOI: 10.1021/ml500030p BindingDB Entry DOI: 10.7270/Q2KP83QG
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532296 (N-[1-(2-m ethoxy yl-3,5-dimethyl-pyrazol-4-yl]-2-(...) Show SMILES COCCn1nc(C)c(NC(=O)c2ccn-3c2CCc2cnc(Nc4ccc(cc4OC)N4CCNCC4)nc-32)c1C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532300 (JDM640A | N-[1-[2-(2-ethoxyethoxy)ethyl]-3,5-dimet...) Show SMILES CCOCCOCCn1nc(C)c(NC(=O)c2ccn-3c2CCc2cnc(Nc4ccc(cc4OC)N4CCN(C)CC4)nc-32)c1C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532299 (N-(2,6-dimethylphenyl)-2-[2-methoxy-4-[(1-methyl-4...) Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2ccc3c(ccn3c2n1)C(=O)Nc1c(C)cccc1C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM329334 ((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](C)c2ccc(F)cc2)cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C29H26FN5O4S/c1-18(19-4-9-22(30)10-5-19)28(36)31-23-11-6-20(7-12-23)21-8-15-27-33-29(34-35(27)17-21)32-25-14-13-24(40(3,37)38)16-26(25)39-2/h4-18H,1-3H3,(H,31,36)(H,32,34)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	2.55	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532282 (N6-cyclohexyl-N2-(2-methyl-4-morpholino-phenyl)-9H...) Show SMILES Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1)N1CCOCC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445232 (CHEMBL3102952) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H14N2O3/c22-14-4-1-11(2-5-14)16-10-21-19-15(16)7-13(9-20-19)12-3-6-17(23)18(24)8-12/h1-10,22-24H,(H,20,21)	PDB UniProtKB/SwissProt 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
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50020936 (CHEMBL3287299) Show SMILES OC(=O)c1nc(ccc1\C=C\Cc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C32H26N4O3S/c37-30(35-32-33-26-14-4-5-15-27(26)40-32)24-13-7-11-22-18-19-36(20-25(22)24)28-17-16-23(29(34-28)31(38)39)12-6-10-21-8-2-1-3-9-21/h1-9,11-17H,10,18-20H2,(H,38,39)(H,33,35,37)/b12-6+	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by AlphaScreen assay				ACS Med Chem Lett 5: 662-7 (2014) Article DOI: 10.1021/ml500030p BindingDB Entry DOI: 10.7270/Q2KP83QG
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072833 (CHEMBL3410060 | US11208696, Example 2) Show SMILES CC(C)CNc1nccn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1 Show InChI InChI=1S/C20H23N5O/c1-13(2)11-22-18-19-23-12-17(25(19)10-9-21-18)14-3-5-15(6-4-14)20(26)24-16-7-8-16/h3-6,9-10,12-13,16H,7-8,11H2,1-2H3,(H,21,22)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445232 (CHEMBL3102952) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H14N2O3/c22-14-4-1-11(2-5-14)16-10-21-19-15(16)7-13(9-20-19)12-3-6-17(23)18(24)8-12/h1-10,22-24H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50020939 (CHEMBL3287302) Show SMILES OC(=O)c1nc(sc1CCCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C31H28N4O4S2/c36-28(34-30-32-24-13-4-5-14-25(24)40-30)22-12-8-9-20-16-17-35(19-23(20)22)31-33-27(29(37)38)26(41-31)15-6-7-18-39-21-10-2-1-3-11-21/h1-5,8-14H,6-7,15-19H2,(H,37,38)(H,32,34,36)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by AlphaScreen assay				ACS Med Chem Lett 5: 662-7 (2014) Article DOI: 10.1021/ml500030p BindingDB Entry DOI: 10.7270/Q2KP83QG
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50420401 (CHEMBL2089255 | US11208696, Example 31) Show SMILES CC(C)(C)Nc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N Show InChI InChI=1S/C17H20N6O/c1-17(2,3)23-16-12(9-18)13(19)8-14(22-16)21-11-6-4-10(5-7-11)15(20)24/h4-8H,1-3H3,(H2,20,24)(H4,19,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445227 (CHEMBL3102955) Show SMILES Oc1ccc(cc1O)-c1c[nH]c2ncc(cc12)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H14N2O4/c22-15-3-1-10(6-17(15)24)12-5-13-14(9-21-19(13)20-8-12)11-2-4-16(23)18(25)7-11/h1-9,22-25H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445230 (CHEMBL3102951) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1O Show InChI InChI=1S/C19H14N2O3/c22-13-3-1-11(2-4-13)17-10-21-19-16(17)7-12(9-20-19)15-6-5-14(23)8-18(15)24/h1-10,22-24H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50020920 (CHEMBL3287283) Show SMILES OC(=O)c1csc(n1)-c1ccc2CCC\C(=N/Nc3nc4ccccc4s3)c2c1 Show InChI InChI=1S/C21H16N4O2S2/c26-20(27)17-11-28-19(22-17)13-9-8-12-4-3-6-15(14(12)10-13)24-25-21-23-16-5-1-2-7-18(16)29-21/h1-2,5,7-11H,3-4,6H2,(H,23,25)(H,26,27)/b24-15+	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by AlphaScreen assay				ACS Med Chem Lett 5: 662-7 (2014) Article DOI: 10.1021/ml500030p BindingDB Entry DOI: 10.7270/Q2KP83QG
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445229 (CHEMBL3102953) Show SMILES Oc1ccc(c(O)c1)-c1cnc2[nH]cc(-c3ccc(O)c(O)c3)c2c1 Show InChI InChI=1S/C19H14N2O4/c22-12-2-3-13(17(24)7-12)11-5-14-15(9-21-19(14)20-8-11)10-1-4-16(23)18(25)6-10/h1-9,22-25H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50020933 (CHEMBL3287296) Show SMILES OC(=O)c1nc(ccc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C32H28N4O4S/c37-30(35-32-33-26-13-4-5-14-27(26)41-32)24-12-6-8-21-17-18-36(20-25(21)24)28-16-15-22(29(34-28)31(38)39)9-7-19-40-23-10-2-1-3-11-23/h1-6,8,10-16H,7,9,17-20H2,(H,38,39)(H,33,35,37)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by AlphaScreen assay				ACS Med Chem Lett 5: 662-7 (2014) Article DOI: 10.1021/ml500030p BindingDB Entry DOI: 10.7270/Q2KP83QG
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50020919 (CHEMBL3287282) Show SMILES OC(=O)c1cccc(n1)-c1ccc2CCC\C(=N/Nc3nc4ccccc4s3)c2c1 Show InChI InChI=1S/C23H18N4O2S/c28-22(29)20-9-4-7-17(24-20)15-12-11-14-5-3-8-18(16(14)13-15)26-27-23-25-19-6-1-2-10-21(19)30-23/h1-2,4,6-7,9-13H,3,5,8H2,(H,25,27)(H,28,29)/b26-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by AlphaScreen assay				ACS Med Chem Lett 5: 662-7 (2014) Article DOI: 10.1021/ml500030p BindingDB Entry DOI: 10.7270/Q2KP83QG
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445231 (CHEMBL3102950) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1 Show InChI InChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50020932 (CHEMBL3287295) Show SMILES OC(=O)c1nc(ccc1CCCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C32H28N4O3S/c37-30(35-32-33-26-14-4-5-15-27(26)40-32)24-13-7-11-22-18-19-36(20-25(22)24)28-17-16-23(29(34-28)31(38)39)12-6-10-21-8-2-1-3-9-21/h1-5,7-9,11,13-17H,6,10,12,18-20H2,(H,38,39)(H,33,35,37)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by AlphaScreen assay				ACS Med Chem Lett 5: 662-7 (2014) Article DOI: 10.1021/ml500030p BindingDB Entry DOI: 10.7270/Q2KP83QG
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50445227 (CHEMBL3102955) Show SMILES Oc1ccc(cc1O)-c1c[nH]c2ncc(cc12)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H14N2O4/c22-15-3-1-10(6-17(15)24)12-5-13-14(9-21-19(13)20-8-12)11-2-4-16(23)18(25)7-11/h1-9,22-25H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM100152 (7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...) Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Competitive inhibition of DYRK1A (unknown origin) using ATP				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair				3D Structure (crystal)

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