BindingDB PrimarySearch

BDBM50071370 (3R,8S)-falcarindiol::(3R,8S,)-heptadeca-1,9-dien-4,6-diyne-3,8-diol::(3S,8S)-falcarindiol::(Z)-(3R,8S)-Heptadeca-1,9-diene-4,6-diyne-3,8-diol::(Z)-(3S,8S)-Heptadeca-1,9-diene-4,6-diyne-3,8-diol::CHEMBL69018::Falcarindiol::Heptadeca-1,9(Z)-diene-4,6-diyne-3,8-diol::Heptadeca-1,9-diene-4,6-diyne-3,8-diol

SMILES: CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C

InChI Key: InChIKey=QWCNQXNAFCBLLV-YWALDVPYSA-N

Data: 4 KI 3 IC50 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50071370
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
D(1A) dopamine receptor (RAT)	BDBM50071370 ((3R,8S)-falcarindiol \| (3R,8S,)-heptadeca-1,9-dien...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]SCH-23390 from rat HA-tagged D1 dopamine receptor expressed in CHO cells				Bioorg Med Chem 16: 3218-23 (2008) Article DOI: 10.1016/j.bmc.2007.12.021 BindingDB Entry DOI: 10.7270/Q2K64JX6
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50071370 ((3R,8S)-falcarindiol \| (3R,8S,)-heptadeca-1,9-dien...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 3218-23 (2008) Article DOI: 10.1016/j.bmc.2007.12.021 BindingDB Entry DOI: 10.7270/Q2K64JX6
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50071370 ((3R,8S)-falcarindiol \| (3R,8S,)-heptadeca-1,9-dien...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 3218-23 (2008) Article DOI: 10.1016/j.bmc.2007.12.021 BindingDB Entry DOI: 10.7270/Q2K64JX6
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50071370 ((3R,8S)-falcarindiol \| (3R,8S,)-heptadeca-1,9-dien...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 3218-23 (2008) Article DOI: 10.1016/j.bmc.2007.12.021 BindingDB Entry DOI: 10.7270/Q2K64JX6
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50071370 ((3R,8S)-falcarindiol \| (3R,8S,)-heptadeca-1,9-dien...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Activation of human PPARgamma expressed in HEK293 cells incubated for 18 hrs by luciferase reporter assay relative to control				J Nat Prod 83: 918-926 (2020)
University of Vienna Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50071370 ((3R,8S)-falcarindiol \| (3R,8S,)-heptadeca-1,9-dien...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells by liquid scintillation counting				J Nat Prod 69: 536-41 (2006) Article DOI: 10.1021/np050301s BindingDB Entry DOI: 10.7270/Q2ST7PM1
University of Illinois at Chicago Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50071370 ((3R,8S)-falcarindiol \| (3R,8S,)-heptadeca-1,9-dien...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay				Bioorg Med Chem Lett 25: 2028-32 (2015) Article DOI: 10.1016/j.bmcl.2015.04.003 BindingDB Entry DOI: 10.7270/Q2XP76M3
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50071370 ((3R,8S)-falcarindiol \| (3R,8S,)-heptadeca-1,9-dien...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 68: 985-91 (2005) Article DOI: 10.1021/np049655u BindingDB Entry DOI: 10.7270/Q27S7PN5
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair