BDBM50450955 CHEMBL4205308

SMILES: CCc1nc2c(C)cc(C)nn2c1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1

InChI Key: InChIKey=WKMOBAVFRIULDB-BQYQJAHWSA-N

Data: 3 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 3 hits for monomerid = 50450955   

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 4 (GPR4) (Homo sapiens (Human))	BDBM50450955 (CHEMBL4205308) Show SMILES CCc1nc2c(C)cc(C)nn2c1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C27H37N5/c1-6-25-26(32-27(28-25)21(4)18-22(5)29-32)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h7-12,18,20H,6,13-17,19H2,1-5H3/b8-7+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins by HTRF assay				J Med Chem 60: 3672-3683 (2017) Article DOI: 10.1021/acs.jmedchem.6b01703 BindingDB Entry DOI: 10.7270/Q28P6349
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50450955 (CHEMBL4205308) Show SMILES CCc1nc2c(C)cc(C)nn2c1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C27H37N5/c1-6-25-26(32-27(28-25)21(4)18-22(5)29-32)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h7-12,18,20H,6,13-17,19H2,1-5H3/b8-7+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-R(-)-alpha-Methyl[imidazole-2.5(n)]histamine from human recombinant histamine H3 receptor expressed in CHOK1 cell membranes afte...				J Med Chem 60: 3672-3683 (2017) Article DOI: 10.1021/acs.jmedchem.6b01703 BindingDB Entry DOI: 10.7270/Q28P6349
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50450955 (CHEMBL4205308) Show SMILES CCc1nc2c(C)cc(C)nn2c1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C27H37N5/c1-6-25-26(32-27(28-25)21(4)18-22(5)29-32)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h7-12,18,20H,6,13-17,19H2,1-5H3/b8-7+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from recombinant human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method				J Med Chem 60: 3672-3683 (2017) Article DOI: 10.1021/acs.jmedchem.6b01703 BindingDB Entry DOI: 10.7270/Q28P6349
					More data for this Ligand-Target Pair