Compile Data Set for Download or QSAR

Found 1352 hits with Last Name = 'wells' 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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442922 (CHEMBL3086984) Show SMILES CN(C)c1cc(F)cc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C19H20FN3O/c1-23(2)18-8-14(7-16(20)10-18)3-4-15-9-19(12-21-11-15)24-13-17-5-6-22-17/h7-12,17,22H,5-6,13H2,1-2H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442927 (CHEMBL3086994) Show SMILES Fc1cccc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C17H15FN2O/c18-15-3-1-2-13(8-15)4-5-14-9-17(11-19-10-14)21-12-16-6-7-20-16/h1-3,8-11,16,20H,6-7,12H2/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442921 (CHEMBL3086985) Show SMILES Cc1cc(F)cc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C18H17FN2O/c1-13-6-14(8-16(19)7-13)2-3-15-9-18(11-20-10-15)22-12-17-4-5-21-17/h6-11,17,21H,4-5,12H2,1H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442924 (CHEMBL3086982) Show SMILES Cc1cccc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C18H18N2O/c1-14-3-2-4-15(9-14)5-6-16-10-18(12-19-11-16)21-13-17-7-8-20-17/h2-4,9-12,17,20H,7-8,13H2,1H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442930 (CHEMBL3086991) Show SMILES C(Oc1cncc(c1)C#Cc1ccccc1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C17H16N2O/c1-2-4-14(5-3-1)6-7-15-10-17(12-18-11-15)20-13-16-8-9-19-16/h1-5,10-12,16,19H,8-9,13H2/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442926 (CHEMBL3086995) Show SMILES Fc1cc(F)cc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C17H14F2N2O/c18-14-5-12(6-15(19)8-14)1-2-13-7-17(10-20-9-13)22-11-16-3-4-21-16/h5-10,16,21H,3-4,11H2/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442928 (CHEMBL3086993) Show SMILES Fc1ccccc1C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C17H15FN2O/c18-17-4-2-1-3-14(17)6-5-13-9-16(11-19-10-13)21-12-15-7-8-20-15/h1-4,9-11,15,20H,7-8,12H2/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442920 (CHEMBL3086986) Show SMILES COc1cc(F)cc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C18H17FN2O2/c1-22-17-7-13(6-15(19)9-17)2-3-14-8-18(11-20-10-14)23-12-16-4-5-21-16/h6-11,16,21H,4-5,12H2,1H3/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442929 (CHEMBL3086992) Show SMILES Fc1ccc(cc1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C17H15FN2O/c18-15-5-3-13(4-6-15)1-2-14-9-17(11-19-10-14)21-12-16-7-8-20-16/h3-6,9-11,16,20H,7-8,12H2/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442923 (CHEMBL3086983) Show SMILES Clc1cccc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C17H15ClN2O/c18-15-3-1-2-13(8-15)4-5-14-9-17(11-19-10-14)21-12-16-6-7-20-16/h1-3,8-11,16,20H,6-7,12H2/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442932 (CHEMBL3086989) Show SMILES C(Oc1cncc(c1)C#Cc1ccccc1)[C@H]1CCN1 |r| Show InChI InChI=1S/C17H16N2O/c1-2-4-14(5-3-1)6-7-15-10-17(12-18-11-15)20-13-16-8-9-19-16/h1-5,10-12,16,19H,8-9,13H2/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50166908 (5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...) Show SMILES C1C2CNCC1c1cc3nccnc3cc21 Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50072110 (3-((S)-1-Azetidin-2-ylmethoxy)-5-phenyl-pyridine |...) Show SMILES C(Oc1cncc(c1)-c1ccccc1)[C@@H]1CCN1 Show InChI InChI=1S/C15H16N2O/c1-2-4-12(5-3-1)13-8-15(10-16-9-13)18-11-14-6-7-17-14/h1-5,8-10,14,17H,6-7,11H2/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442925 (CHEMBL3086996) Show SMILES FC(F)(F)c1cccc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C18H15F3N2O/c19-18(20,21)15-3-1-2-13(8-15)4-5-14-9-17(11-22-10-14)24-12-16-6-7-23-16/h1-3,8-11,16,23H,6-7,12H2/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442931 (CHEMBL3086990) Show SMILES CN1CC[C@H]1COc1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C18H18N2O/c1-20-10-9-17(20)14-21-18-11-16(12-19-13-18)8-7-15-5-3-2-4-6-15/h2-6,11-13,17H,9-10,14H2,1H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50524284 (CHEMBL4443342) Show SMILES COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC Show InChI InChI=1S/C18H17BrN2O3/c1-22-16-9-12(10-17(23-2)18(16)24-3)21-15-6-7-20-14-5-4-11(19)8-13(14)15/h4-10H,1-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged GAK (unknown origin) (12 to 347 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50537138 (CHEMBL4531690) Show SMILES Clc1cc2OCCOCCNc3ccn4ncc(-c(c1)c2)c4n3 Show InChI InChI=1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged GAK (unknown origin) (12 to 347 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511373 (CHEMBL4571548) Show SMILES CC(C)CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H24N4O3S/c1-13(2)12-29(27,28)25-17-5-3-4-15(10-17)16-8-9-18-19(11-16)23-24-20(18)22-21(26)14-6-7-14/h3-5,8-11,13-14,25H,6-7,12H2,1-2H3,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511385 (CHEMBL4534959) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)CC2CC2)c1)C1CC1 Show InChI InChI=1S/C21H22N4O3S/c26-21(14-6-7-14)22-20-18-9-8-16(11-19(18)23-24-20)15-2-1-3-17(10-15)25-29(27,28)12-13-4-5-13/h1-3,8-11,13-14,25H,4-7,12H2,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511383 (CHEMBL4531680) Show SMILES CCN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H23N5O3S/c1-3-25(2)29(27,28)24-16-6-4-5-14(11-16)15-9-10-17-18(12-15)22-23-19(17)21-20(26)13-7-8-13/h4-6,9-13,24H,3,7-8H2,1-2H3,(H2,21,22,23,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511376 (CHEMBL4516665) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1 Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511400 (CHEMBL4535040) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CCC2)c1)C1CC1 Show InChI InChI=1S/C21H22N4O3S/c26-21(13-7-8-13)22-20-18-10-9-15(12-19(18)23-24-20)14-3-1-4-16(11-14)25-29(27,28)17-5-2-6-17/h1,3-4,9-13,17,25H,2,5-8H2,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511397 (CHEMBL4452939) Show SMILES CCN(CC)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(4-2)30(28,29)25-17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(27)14-8-9-14/h5-7,10-14,25H,3-4,8-9H2,1-2H3,(H2,22,23,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair				3D Structure (crystal)
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511380 (CHEMBL4452360) Show SMILES CN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C19H21N5O3S/c1-24(2)28(26,27)23-15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(25)12-6-7-12/h3-5,8-12,23H,6-7H2,1-2H3,(H2,20,21,22,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511394 (CHEMBL4552310) Show SMILES CCCS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H22N4O3S/c1-2-10-28(26,27)24-16-5-3-4-14(11-16)15-8-9-17-18(12-15)22-23-19(17)21-20(25)13-6-7-13/h3-5,8-9,11-13,24H,2,6-7,10H2,1H3,(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511376 (CHEMBL4516665) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1 Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair				3D Structure (crystal)
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511373 (CHEMBL4571548) Show SMILES CC(C)CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H24N4O3S/c1-13(2)12-29(27,28)25-17-5-3-4-15(10-17)16-8-9-18-19(11-16)23-24-20(18)22-21(26)14-6-7-14/h3-5,8-11,13-14,25H,6-7,12H2,1-2H3,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511397 (CHEMBL4452939) Show SMILES CCN(CC)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(4-2)30(28,29)25-17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(27)14-8-9-14/h5-7,10-14,25H,3-4,8-9H2,1-2H3,(H2,22,23,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511400 (CHEMBL4535040) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CCC2)c1)C1CC1 Show InChI InChI=1S/C21H22N4O3S/c26-21(13-7-8-13)22-20-18-10-9-15(12-19(18)23-24-20)14-3-1-4-16(11-14)25-29(27,28)17-5-2-6-17/h1,3-4,9-13,17,25H,2,5-8H2,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511385 (CHEMBL4534959) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)CC2CC2)c1)C1CC1 Show InChI InChI=1S/C21H22N4O3S/c26-21(14-6-7-14)22-20-18-9-8-16(11-19(18)23-24-20)15-2-1-3-17(10-15)25-29(27,28)12-13-4-5-13/h1-3,8-11,13-14,25H,4-7,12H2,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair				3D Structure (crystal)
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511380 (CHEMBL4452360) Show SMILES CN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C19H21N5O3S/c1-24(2)28(26,27)23-15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(25)12-6-7-12/h3-5,8-12,23H,6-7H2,1-2H3,(H2,20,21,22,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair				3D Structure (crystal)
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511383 (CHEMBL4531680) Show SMILES CCN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H23N5O3S/c1-3-25(2)29(27,28)24-16-6-4-5-14(11-16)15-9-10-17-18(12-15)22-23-19(17)21-20(26)13-7-8-13/h4-6,9-13,24H,3,7-8H2,1-2H3,(H2,21,22,23,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511378 (CHEMBL4470026) Show SMILES CCN(C)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(2)30(28,29)22-13-14-5-4-6-16(11-14)17-9-10-18-19(12-17)24-25-20(18)23-21(27)15-7-8-15/h4-6,9-12,15,22H,3,7-8,13H2,1-2H3,(H2,23,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511399 (CHEMBL4542463) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(CNS(=O)(=O)CC2CC2)c1)C1CC1 Show InChI InChI=1S/C22H24N4O3S/c27-22(16-6-7-16)24-21-19-9-8-18(11-20(19)25-26-21)17-3-1-2-15(10-17)12-23-30(28,29)13-14-4-5-14/h1-3,8-11,14,16,23H,4-7,12-13H2,(H2,24,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511395 (CHEMBL4473140) Show SMILES Fc1ccccc1CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C24H21FN4O3S/c25-21-7-2-1-4-18(21)14-33(31,32)29-19-6-3-5-16(12-19)17-10-11-20-22(13-17)27-28-23(20)26-24(30)15-8-9-15/h1-7,10-13,15,29H,8-9,14H2,(H2,26,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511375 (CHEMBL4593649) Show SMILES Fc1cccc(CS(=O)(=O)Nc2cccc(c2)-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 Show InChI InChI=1S/C24H21FN4O3S/c25-19-5-1-3-15(11-19)14-33(31,32)29-20-6-2-4-17(12-20)18-9-10-21-22(13-18)27-28-23(21)26-24(30)16-7-8-16/h1-6,9-13,16,29H,7-8,14H2,(H2,26,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511379 (CHEMBL4447403) Show SMILES FC(F)(F)CCS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H21F3N4O3S/c22-21(23,24)8-9-32(30,31)25-12-13-2-1-3-15(10-13)16-6-7-17-18(11-16)27-28-19(17)26-20(29)14-4-5-14/h1-3,6-7,10-11,14,25H,4-5,8-9,12H2,(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511374 (CHEMBL4522276) Show SMILES CC(C)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C22H26N4O3S/c1-14(2)13-30(28,29)23-12-15-4-3-5-17(10-15)18-8-9-19-20(11-18)25-26-21(19)24-22(27)16-6-7-16/h3-5,8-11,14,16,23H,6-7,12-13H2,1-2H3,(H2,24,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511394 (CHEMBL4552310) Show SMILES CCCS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H22N4O3S/c1-2-10-28(26,27)24-16-5-3-4-14(11-16)15-8-9-17-18(12-15)22-23-19(17)21-20(25)13-6-7-13/h3-5,8-9,11-13,24H,2,6-7,10H2,1H3,(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511379 (CHEMBL4447403) Show SMILES FC(F)(F)CCS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H21F3N4O3S/c22-21(23,24)8-9-32(30,31)25-12-13-2-1-3-15(10-13)16-6-7-17-18(11-16)27-28-19(17)26-20(29)14-4-5-14/h1-3,6-7,10-11,14,25H,4-5,8-9,12H2,(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511398 (CHEMBL4582326) Show SMILES FC(F)(F)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H19F3N4O3S/c21-20(22,23)11-31(29,30)24-10-12-2-1-3-14(8-12)15-6-7-16-17(9-15)26-27-18(16)25-19(28)13-4-5-13/h1-3,6-9,13,24H,4-5,10-11H2,(H2,25,26,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511396 (CHEMBL4472438) Show SMILES CCN(CC)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C22H27N5O3S/c1-3-27(4-2)31(29,30)23-14-15-6-5-7-17(12-15)18-10-11-19-20(13-18)25-26-21(19)24-22(28)16-8-9-16/h5-7,10-13,16,23H,3-4,8-9,14H2,1-2H3,(H2,24,25,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511378 (CHEMBL4470026) Show SMILES CCN(C)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(2)30(28,29)22-13-14-5-4-6-16(11-14)17-9-10-18-19(12-17)24-25-20(18)23-21(27)15-7-8-15/h4-6,9-12,15,22H,3,7-8,13H2,1-2H3,(H2,23,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511399 (CHEMBL4542463) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(CNS(=O)(=O)CC2CC2)c1)C1CC1 Show InChI InChI=1S/C22H24N4O3S/c27-22(16-6-7-16)24-21-19-9-8-18(11-20(19)25-26-21)17-3-1-2-15(10-17)12-23-30(28,29)13-14-4-5-14/h1-3,8-11,14,16,23H,4-7,12-13H2,(H2,24,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511398 (CHEMBL4582326) Show SMILES FC(F)(F)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H19F3N4O3S/c21-20(22,23)11-31(29,30)24-10-12-2-1-3-14(8-12)15-6-7-16-17(9-15)26-27-18(16)25-19(28)13-4-5-13/h1-3,6-9,13,24H,4-5,10-11H2,(H2,25,26,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511384 (CHEMBL4561238) Show SMILES CN(CC(F)(F)F)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H22F3N5O3S/c1-29(12-21(22,23)24)33(31,32)25-11-13-3-2-4-15(9-13)16-7-8-17-18(10-16)27-28-19(17)26-20(30)14-5-6-14/h2-4,7-10,14,25H,5-6,11-12H2,1H3,(H2,26,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511384 (CHEMBL4561238) Show SMILES CN(CC(F)(F)F)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H22F3N5O3S/c1-29(12-21(22,23)24)33(31,32)25-11-13-3-2-4-15(9-13)16-7-8-17-18(10-16)27-28-19(17)26-20(30)14-5-6-14/h2-4,7-10,14,25H,5-6,11-12H2,1H3,(H2,26,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50537139 (CHEMBL4535001) Show SMILES Cc1[nH]nc(Nc2ncnc3cc(OCCO)c(cc23)S(=O)(=O)C(C)(C)C)c1C Show InChI InChI=1S/C19H25N5O4S/c1-11-12(2)23-24-17(11)22-18-13-8-16(29(26,27)19(3,4)5)15(28-7-6-25)9-14(13)20-10-21-18/h8-10,25H,6-7H2,1-5H3,(H2,20,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged GAK (unknown origin) (12 to 347 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair

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