SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 246.3
BDBM50239186

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 22 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.37E+3	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Positive allosteric modulation of Gi coupled human GPR84 expressed in CHO cells assessed as potentiation of decanoic acid-induced inhibition of forsk...				J Med Chem 60: 3636-3655 (2017) Article DOI: 10.1021/acs.jmedchem.6b01593 BindingDB Entry DOI: 10.7270/Q289180W
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		n/a	n/a	n/a	n/a	7.80E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Positive allosteric modulation of Gi coupled human GPR84 expressed in CHO cells assessed as potentiation of decanoic acid-induced inhibition of forsk...				J Med Chem 60: 3636-3655 (2017) Article DOI: 10.1021/acs.jmedchem.6b01593 BindingDB Entry DOI: 10.7270/Q289180W
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	252	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
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.64E+3	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
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.28E+3	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Positive allosteric modulation of Gi coupled human GPR84 expressed in CHO cells assessed as potentiation of decanoic acid-induced inhibition of forsk...				J Med Chem 60: 3636-3655 (2017) Article DOI: 10.1021/acs.jmedchem.6b01593 BindingDB Entry DOI: 10.7270/Q289180W
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
DNA topoisomerase I (Leishmania donovani)	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.30E+5	n/a	n/a	n/a	n/a	n/a
India Institute of Chemical Biology Curated by ChEMBL					Assay Description Binding affinity to recombinant drug-resistant Leishmania donovani LdDR50 topoisomerase 1b large subunit F270L mutant after 24 hrs by equilibrium dia...				Antimicrob Agents Chemother 53: 2589-98 (2009) Article DOI: 10.1128/AAC.01648-08 BindingDB Entry DOI: 10.7270/Q2542RDS
India Institute of Chemical Biology Curated by ChEMBL					More data for this Ligand-Target Pair
DNA topoisomerase type IB small subunit (Leishmania donovani)	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.80E+5	n/a	n/a	n/a	n/a	n/a
India Institute of Chemical Biology Curated by ChEMBL					Assay Description Binding affinity to recombinant drug-resistant Leishmania donovani LdDR50 topoisomerase 1b small subunit N184S mutant after 24 hrs by equilibrium dia...				Antimicrob Agents Chemother 53: 2589-98 (2009) Article DOI: 10.1128/AAC.01648-08 BindingDB Entry DOI: 10.7270/Q2542RDS
India Institute of Chemical Biology Curated by ChEMBL					More data for this Ligand-Target Pair
DNA topoisomerase I (Leishmania donovani)	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.60E+5	n/a	n/a	n/a	n/a	n/a
India Institute of Chemical Biology Curated by ChEMBL					Assay Description Binding affinity to recombinant drug-resistant Leishmania donovani LdDR50 topoisomerase 1b large subunit F270L, K430N mutant after 24 hrs by equilibr...				Antimicrob Agents Chemother 53: 2589-98 (2009) Article DOI: 10.1128/AAC.01648-08 BindingDB Entry DOI: 10.7270/Q2542RDS
India Institute of Chemical Biology Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at human N-terminal FLAG-tagged GPR84 receptor stably expressed in CHO cells assessed as inhibition of forskolin-induced cAMP produc...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at human Gi1alpha-coupled GPR84 expressed in baculovirus infected Sf9 insect cells assessed as stimulation of [35S]GTPgammaS binding...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	368	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Positive allosteric modulation of recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 assessed as increase in [3H]PS...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	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 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.11E+3	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 stimulation of [35S]GTPgammaS binding measured aft...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at human N-terminal FLAG-tagged GPR84 receptor stably expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS bind...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	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 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at human Gi1alpha-coupled GPR84 expressed in baculovirus infected Sf9 insect cells assessed as stimulation of [35S]GTPgammaS binding...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Mus musculus (Mouse))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.80E+4	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Displacement of 2-azido-3-[125I]7,8-dibromodibenzo-pdioxin from C57BL/6J mouse liver AhR relative to TCDD				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111842 BindingDB Entry DOI: 10.7270/Q2N019SX
University of Perugia Curated by ChEMBL					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Mus musculus (Mouse))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Displacement of 2-azido-3-[125I]7,8-dibromodibenzo-pdioxin from C57BL/6J mouse liver AhR				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111842 BindingDB Entry DOI: 10.7270/Q2N019SX
University of Perugia Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Mus musculus)	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.27E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at mouse Galphai2-coupled GPR84 expressed in human Flp-In-T-REx-293 cell membrane assessed as stimulation of [35S]GTPgammaS binding ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01378 BindingDB Entry DOI: 10.7270/Q2VH5SHP
TBA					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		n/a	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50239186 (1,1-Bis(3''-Indolyl)Methane \| 3,3''-Diindolylmetha...) Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.12E+3	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Positive allosteric modulation of Gi coupled human GPR84 expressed in CHO cells assessed as potentiation of decanoic acid-induced inhibition of forsk...				J Med Chem 60: 3636-3655 (2017) Article DOI: 10.1021/acs.jmedchem.6b01593 BindingDB Entry DOI: 10.7270/Q289180W
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair