BDBM50358249 CHEMBL515982

SMILES: CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C

InChI Key: InChIKey=GKFHBWBDOADOEV-HFOUWSASSA-N

Data: 16 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50358249   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aurora kinase B (Homo sapiens (Human))	BDBM50358249 (CHEMBL515982) Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r| Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human Aurora-B using tetra(LRRWLSG) as substrate				Bioorg Med Chem 19: 6873-80 (2011) Article DOI: 10.1016/j.bmc.2011.09.028 BindingDB Entry DOI: 10.7270/Q2HX1D38
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50358249 (CHEMBL515982) Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r| Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human VEGF-R2 using poly(Glu,Tyr)4:1 as substrate				Bioorg Med Chem 19: 6873-80 (2011) Article DOI: 10.1016/j.bmc.2011.09.028 BindingDB Entry DOI: 10.7270/Q2HX1D38
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50358249 (CHEMBL515982) Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r| Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human ALK				Bioorg Med Chem 19: 6873-80 (2011) Article DOI: 10.1016/j.bmc.2011.09.028 BindingDB Entry DOI: 10.7270/Q2HX1D38
					More data for this Ligand-Target Pair
NUAK family SNF1-like kinase 1 (Homo sapiens (Human))	BDBM50358249 (CHEMBL515982) Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r| Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human ARK5				Bioorg Med Chem 19: 6873-80 (2011) Article DOI: 10.1016/j.bmc.2011.09.028 BindingDB Entry DOI: 10.7270/Q2HX1D38
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM50358249 (CHEMBL515982) Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r| Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human AXL				Bioorg Med Chem 19: 6873-80 (2011) Article DOI: 10.1016/j.bmc.2011.09.028 BindingDB Entry DOI: 10.7270/Q2HX1D38
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50358249 (CHEMBL515982) Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r| Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human FAK using poly(Glu,Tyr)4:1 as substrate				Bioorg Med Chem 19: 6873-80 (2011) Article DOI: 10.1016/j.bmc.2011.09.028 BindingDB Entry DOI: 10.7270/Q2HX1D38
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50358249 (CHEMBL515982) Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r| Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human IGF1-R using poly(Glu,Tyr)4:1 as substrate				Bioorg Med Chem 19: 6873-80 (2011) Article DOI: 10.1016/j.bmc.2011.09.028 BindingDB Entry DOI: 10.7270/Q2HX1D38
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50358249 (CHEMBL515982) Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r| Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of wild type human MEK1				Bioorg Med Chem 19: 6873-80 (2011) Article DOI: 10.1016/j.bmc.2011.09.028 BindingDB Entry DOI: 10.7270/Q2HX1D38
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50358249 (CHEMBL515982) Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r| Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of wild type human MET using poly(Ala,Glu,Lys,Tyr) as substrate				Bioorg Med Chem 19: 6873-80 (2011) Article DOI: 10.1016/j.bmc.2011.09.028 BindingDB Entry DOI: 10.7270/Q2HX1D38
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50358249 (CHEMBL515982) Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r| Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human NEK2				Bioorg Med Chem 19: 6873-80 (2011) Article DOI: 10.1016/j.bmc.2011.09.028 BindingDB Entry DOI: 10.7270/Q2HX1D38
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase NEK6 (Homo sapiens (Human))	BDBM50358249 (CHEMBL515982) Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r| Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human NEK6				Bioorg Med Chem 19: 6873-80 (2011) Article DOI: 10.1016/j.bmc.2011.09.028 BindingDB Entry DOI: 10.7270/Q2HX1D38
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50358249 (CHEMBL515982) Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r| Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human PIM1				Bioorg Med Chem 19: 6873-80 (2011) Article DOI: 10.1016/j.bmc.2011.09.028 BindingDB Entry DOI: 10.7270/Q2HX1D38
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50358249 (CHEMBL515982) Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r| Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human PLK1 using casein as substrate				Bioorg Med Chem 19: 6873-80 (2011) Article DOI: 10.1016/j.bmc.2011.09.028 BindingDB Entry DOI: 10.7270/Q2HX1D38
					More data for this Ligand-Target Pair
Protein kinase N1 (Homo sapiens (Human))	BDBM50358249 (CHEMBL515982) Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r| Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human PRK1				Bioorg Med Chem 19: 6873-80 (2011) Article DOI: 10.1016/j.bmc.2011.09.028 BindingDB Entry DOI: 10.7270/Q2HX1D38
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50358249 (CHEMBL515982) Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r| Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human SRC using poly(Glu,Tyr)4:1 as substrate				Bioorg Med Chem 19: 6873-80 (2011) Article DOI: 10.1016/j.bmc.2011.09.028 BindingDB Entry DOI: 10.7270/Q2HX1D38
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50358249 (CHEMBL515982) Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r| Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human AKT1 using GSK3 (amino acids 14 to 27) as substrate				Bioorg Med Chem 19: 6873-80 (2011) Article DOI: 10.1016/j.bmc.2011.09.028 BindingDB Entry DOI: 10.7270/Q2HX1D38
					More data for this Ligand-Target Pair