BDBM50260328 CHEMBL4090675

SMILES: CCc1nc2cccnc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1

InChI Key: InChIKey=PEBXLIVSKIOKEF-VOTSOKGWSA-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 = 50260328   

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 (Rattus norvegicus)	BDBM50260328 (CHEMBL4090675) Show SMILES CCc1nc2cccnc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C25H33N5/c1-4-24-27-23-8-5-13-26-25(23)30(24)19-22-11-9-21(10-12-22)7-6-14-28-15-17-29(18-16-28)20(2)3/h5-13,20H,4,14-19H2,1-3H3/b7-6+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	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 rat GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by cA...				Bioorg Med Chem 25: 4512-4525 (2017) Article DOI: 10.1016/j.bmc.2017.06.050 BindingDB Entry DOI: 10.7270/Q2NS0XB3
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (GPR4) (Homo sapiens (Human))	BDBM50260328 (CHEMBL4090675) Show SMILES CCc1nc2cccnc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C25H33N5/c1-4-24-27-23-8-5-13-26-25(23)30(24)19-22-11-9-21(10-12-22)7-6-14-28-15-17-29(18-16-28)20(2)3/h5-13,20H,4,14-19H2,1-3H3/b7-6+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+3	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 African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...				Bioorg Med Chem 25: 4512-4525 (2017) Article DOI: 10.1016/j.bmc.2017.06.050 BindingDB Entry DOI: 10.7270/Q2NS0XB3
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Mus musculus)	BDBM50260328 (CHEMBL4090675) Show SMILES CCc1nc2cccnc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C25H33N5/c1-4-24-27-23-8-5-13-26-25(23)30(24)19-22-11-9-21(10-12-22)7-6-14-28-15-17-29(18-16-28)20(2)3/h5-13,20H,4,14-19H2,1-3H3/b7-6+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	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 mouse GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by ...				Bioorg Med Chem 25: 4512-4525 (2017) Article DOI: 10.1016/j.bmc.2017.06.050 BindingDB Entry DOI: 10.7270/Q2NS0XB3
					More data for this Ligand-Target Pair