BindingDB PrimarySearch

BDBM50360601 CHEMBL1933349

SMILES: COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=DNTVJEMGHBIUMW-IBGZPJMESA-N

Data: 1 KI 21 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50360601
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
Glucagon receptor (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Glucagon-Cex from human GCGR				Bioorg Med Chem Lett 22: 415-20 (2011) Article DOI: 10.1016/j.bmcl.2011.10.113 BindingDB Entry DOI: 10.7270/Q2H70G82
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucagon receptor (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gastric inhibitory polypeptide receptor (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human GIPR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Uncharacterized protein (Macaca mulatta)	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at rhesus monkey GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 min...				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Uncharacterized protein (Canis familiaris)	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB Reactome pathway B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at dog GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior to...				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucagon receptor (Mus musculus)	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at mouse GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Glucagon receptor (Rattus norvegicus)	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	727	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at rat GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior to...				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1) (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human GLP1R expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior...				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 2 (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human PAC1 expressed in mouse HIN 3T3 cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 m...				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [125I]-glucagon from wild type human glucagon receptor expressed in CHOK1 cells after 3 hrs by micro beta scintillation counting anal...				Bioorg Med Chem 26: 1896-1908 (2018) Article DOI: 10.1016/j.bmc.2018.02.036 BindingDB Entry DOI: 10.7270/Q27S7RF9
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Vasoactive intestinal polypeptide receptor 2 (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human VPAC2 expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior...				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 in liver microsomes assessed as testosterone 6beta-hydroxylation after 48 hrs				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 in liver microsomes assessed as dextromethorphan O-demethylation after 48 hrs				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP2C8 in liver microsomes assessed as paclitaxel 6alpha-hydroxylation after 48 hrs				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 in liver microsomes assessed as diclofenac 4'-hydroxylation after 48 hrs				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 in liver microsomes assessed as phenacetin O-deethylation after 48 hrs				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP2B6 in liver microsomes assessed as bupropion hydroxylation after 48 hrs				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP2E1 in liver microsomes assessed as chlorzoxazone 6beta-hydroxylation after 48 hrs				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at human glucagon receptor expressed in HEK293T cells assessed as inhibition of glucagon-induced cAMP accumulation after 30 mins ...				Bioorg Med Chem 26: 1896-1908 (2018) Article DOI: 10.1016/j.bmc.2018.02.036 BindingDB Entry DOI: 10.7270/Q27S7RF9
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucagon receptor (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
VIPR1 (Homo sapiens (Human))	BDBM50360601 (CHEMBL1933349) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human VPAC1 expressed in HT-29 cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins pri...				J Med Chem 55: 6137-48 (2012) Article DOI: 10.1021/jm300579z BindingDB Entry DOI: 10.7270/Q2X63P2C
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair