BDBM50260333 CHEMBL4063894

SMILES: CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1

InChI Key: InChIKey=NRULGZXBNNHQKE-VQHVLOKHSA-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 = 50260333   

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 (Mus musculus)	BDBM50260333 (CHEMBL4063894) Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C28H39N5/c1-6-8-26-30-27-22(4)19-23(5)29-28(27)33(26)20-25-12-10-24(11-13-25)9-7-14-31-15-17-32(18-16-31)21(2)3/h7,9-13,19,21H,6,8,14-18,20H2,1-5H3/b9-7+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.31E+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 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
G-protein coupled receptor 4 (GPR4) (Homo sapiens (Human))	BDBM50260333 (CHEMBL4063894) Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C28H39N5/c1-6-8-26-30-27-22(4)19-23(5)29-28(27)33(26)20-25-12-10-24(11-13-25)9-7-14-31-15-17-32(18-16-31)21(2)3/h7,9-13,19,21H,6,8,14-18,20H2,1-5H3/b9-7+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	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 (Rattus norvegicus)	BDBM50260333 (CHEMBL4063894) Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C28H39N5/c1-6-8-26-30-27-22(4)19-23(5)29-28(27)33(26)20-25-12-10-24(11-13-25)9-7-14-31-15-17-32(18-16-31)21(2)3/h7,9-13,19,21H,6,8,14-18,20H2,1-5H3/b9-7+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.22E+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 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