BDBM50232968 CHEMBL4099337

SMILES: COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1

InChI Key: InChIKey=QPIFMCLNACVAAT-GEWABHDNSA-N

Data: 14 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 14 hits for monomerid = 50232968   

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
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM50232968 (CHEMBL4099337) Show SMILES COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H26O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,15,18,21-23H,3-8H2,1-2H3/t11-,15-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human ALK1 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay				J Med Chem 60: 1495-1508 (2017) BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1A (Homo sapiens (Human))	BDBM50232968 (CHEMBL4099337) Show SMILES COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H26O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,15,18,21-23H,3-8H2,1-2H3/t11-,15-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human ALK3 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay				J Med Chem 60: 1495-1508 (2017) BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50232968 (CHEMBL4099337) Show SMILES COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H26O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,15,18,21-23H,3-8H2,1-2H3/t11-,15-,18+/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human ALK5 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay				J Med Chem 60: 1495-1508 (2017) BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (Homo sapiens (Human))	BDBM50232968 (CHEMBL4099337) Show SMILES COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H26O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,15,18,21-23H,3-8H2,1-2H3/t11-,15-,18+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	727	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human ALK6 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay				J Med Chem 60: 1495-1508 (2017) BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM50232968 (CHEMBL4099337) Show SMILES COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H26O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,15,18,21-23H,3-8H2,1-2H3/t11-,15-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human ALK1 using casein as substrate in presence of 200 uM ATP by radiometric kinase assay				J Med Chem 60: 1495-1508 (2017) BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM50232968 (CHEMBL4099337) Show SMILES COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H26O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,15,18,21-23H,3-8H2,1-2H3/t11-,15-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human ALK1 using casein as substrate in presence of [gamma-33P]-ATP by scintillation counting method				J Med Chem 60: 1495-1508 (2017) BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM50232968 (CHEMBL4099337) Show SMILES COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H26O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,15,18,21-23H,3-8H2,1-2H3/t11-,15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human ALK4 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay				J Med Chem 60: 1495-1508 (2017) BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50232968 (CHEMBL4099337) Show SMILES COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H26O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,15,18,21-23H,3-8H2,1-2H3/t11-,15-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human FLT4 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by scintillation counting method				J Med Chem 60: 1495-1508 (2017) BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50232968 (CHEMBL4099337) Show SMILES COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H26O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,15,18,21-23H,3-8H2,1-2H3/t11-,15-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human KDR using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by scintillation counting method				J Med Chem 60: 1495-1508 (2017) BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2 (Homo sapiens (Human))	BDBM50232968 (CHEMBL4099337) Show SMILES COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H26O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,15,18,21-23H,3-8H2,1-2H3/t11-,15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human MEK2 using ERK2 as substrate in presence of [gamma-33P]-ATP by scintillation counting method				J Med Chem 60: 1495-1508 (2017) BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6 (Homo sapiens (Human))	BDBM50232968 (CHEMBL4099337) Show SMILES COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H26O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,15,18,21-23H,3-8H2,1-2H3/t11-,15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human MKK6 using p38a as substrate in presence of [gamma-33P]-ATP by scintillation counting method				J Med Chem 60: 1495-1508 (2017) BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50232968 (CHEMBL4099337) Show SMILES COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H26O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,15,18,21-23H,3-8H2,1-2H3/t11-,15-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of 200 uM ATP by radiometric kinase assay				J Med Chem 60: 1495-1508 (2017) BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50232968 (CHEMBL4099337) Show SMILES COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H26O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,15,18,21-23H,3-8H2,1-2H3/t11-,15-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	217	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay				J Med Chem 60: 1495-1508 (2017) BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50232968 (CHEMBL4099337) Show SMILES COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H26O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,15,18,21-23H,3-8H2,1-2H3/t11-,15-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human FLT3 using EAIYAAPFAKKK peptide as substrate in presence of [gamma-33P]-ATP by scintillation counting method				J Med Chem 60: 1495-1508 (2017) BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair