BDBM50078850 CHEBI:4778::EMBELIN::Embelin

SMILES: CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O

InChI Key: InChIKey=IRSFLDGTOHBADP-UHFFFAOYSA-N

Data: 1 KI  10 IC50  10 EC50

PDB links: 1 PDB ID matches this monomer.

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 21 hits for monomerid = 50078850   

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
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Curated by ChEMBL					Assay Description Inhibition of human 5-LOX by cell free assay				Eur J Med Chem 94: 132-9 (2015) Article DOI: 10.1016/j.ejmech.2015.02.042 BindingDB Entry DOI: 10.7270/Q2T72K5H
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Curated by ChEMBL					Assay Description Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction in lipoxygenase products formation pre-incubated for 15 mins followed...				Eur J Med Chem 94: 132-9 (2015) Article DOI: 10.1016/j.ejmech.2015.02.042 BindingDB Entry DOI: 10.7270/Q2T72K5H
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Curated by ChEMBL					Assay Description Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction in lipoxygenase products formation in presence of arachidonic acid pr...				Eur J Med Chem 94: 132-9 (2015) Article DOI: 10.1016/j.ejmech.2015.02.042 BindingDB Entry DOI: 10.7270/Q2T72K5H
					More data for this Ligand-Target Pair
Macrophage-expressed gene 1 protein (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Curated by ChEMBL					Assay Description Inhibition of human mPGES1				Eur J Med Chem 94: 132-9 (2015) Article DOI: 10.1016/j.ejmech.2015.02.042 BindingDB Entry DOI: 10.7270/Q2T72K5H
					More data for this Ligand-Target Pair
Macrophage-expressed gene 1 protein (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 synthase activity after 15 mins using ...				Eur J Med Chem 94: 132-9 (2015) Article DOI: 10.1016/j.ejmech.2015.02.042 BindingDB Entry DOI: 10.7270/Q2T72K5H
					More data for this Ligand-Target Pair
Histone acetyltransferase PCAF (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of full length recombinant FLAG-tagged PCAF (unknown origin) expressed in baculovirus expression system using histone substrate after 10 m...				J Med Chem 59: 1249-70 (2016) BindingDB Entry DOI: 10.7270/Q2DV1MRN
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at human GPR84 assessed as beta-arrestin recruitment by beta-galactosidase complementation assay				J Med Chem 60: 3636-3655 (2017) Article DOI: 10.1021/acs.jmedchem.6b01593 BindingDB Entry DOI: 10.7270/Q289180W
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of XIAP (unknown origin)				J Med Chem 60: 3636-3655 (2017) Article DOI: 10.1021/acs.jmedchem.6b01593 BindingDB Entry DOI: 10.7270/Q289180W
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	795	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at Gi coupled human GPR84 expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 15 mins in pres...				J Med Chem 60: 3636-3655 (2017) Article DOI: 10.1021/acs.jmedchem.6b01593 BindingDB Entry DOI: 10.7270/Q289180W
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	421	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at human PK-tagged GPR84 expressed in CHOK1 cells assessed as EA-tagged beta-arrestin recruitment by beta-galactosidase complementat...				J Med Chem 60: 3636-3655 (2017) Article DOI: 10.1021/acs.jmedchem.6b01593 BindingDB Entry DOI: 10.7270/Q289180W
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at human GPR84 expressed in CHO cells assessed as beta-arrestin recruitment after 90 mins by beta-galactosidase complementation assa...				J Med Chem 60: 3636-3655 (2017) Article DOI: 10.1021/acs.jmedchem.6b01593 BindingDB Entry DOI: 10.7270/Q289180W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Abdul Wali Khan University Mardan Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cell microsomes				Eur J Med Chem 153: 2-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.059 BindingDB Entry DOI: 10.7270/Q22R3V7F
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at recombinant human GPR84 expressed in CHO cells assessed as beta-arrestin 2 recruitment by beta-galactosidase based PathHunter ass...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	630	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at recombinant human N-terminal epitope tagged/C-terminal eYFP-fused FLAG-tagged GPR84 expressed in Flp-In TREx 293 cell membranes a...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at recombinant human N-terminal epitope tagged/C-terminal eYFP-fused FLAG-tagged GPR84 expressed in Flp-In TREx 293 cell membranes a...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	630	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at recombinant human GPR84 expressed in HEK293 cells co-expressing Gqi5 assessed as inhibition of forskolin-induced cAMP accumulatio...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	421	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at recombinant human GPR84 expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation by fluo-4AM dye base...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	89	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at recombinant human HA-tagged GPR84 stably expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation ...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 incubated for 10 mins in presence of arachidonic acid by RP-HPLC based cell-...				Eur J Med Chem 94: 132-9 (2015) Article DOI: 10.1016/j.ejmech.2015.02.042 BindingDB Entry DOI: 10.7270/Q2T72K5H
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 | EMBELIN | Embelin) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16| Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Curated by ChEMBL					Assay Description Inhibition of human 5-LOX by intact cell based assay				Eur J Med Chem 94: 132-9 (2015) Article DOI: 10.1016/j.ejmech.2015.02.042 BindingDB Entry DOI: 10.7270/Q2T72K5H
					More data for this Ligand-Target Pair