BindingDB PrimarySearch

BDBM50058163 Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-ethyl-amine::CHEMBL9946::CP 154,526::CP-154526::N-butyl-N-ethyl-7-mesityl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

SMILES: CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C

InChI Key: InChIKey=FHQYJZCJRZHINA-UHFFFAOYSA-N

Data: 17 KI 3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50058163
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
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by PDSP K_i Database									J Pharmacol Exp Ther 305: 57-69 (2003) Article DOI: 10.1124/jpet.102.046128 BindingDB Entry DOI: 10.7270/Q20K273G
					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by PDSP K_i Database									J Pharmacol Exp Ther 305: 57-69 (2003) Article DOI: 10.1124/jpet.102.046128 BindingDB Entry DOI: 10.7270/Q20K273G
					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells				J Med Chem 42: 833-48 (1999) Article DOI: 10.1021/jm980224g BindingDB Entry DOI: 10.7270/Q2610ZGP
DuPont Pharmaceuticals Company Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor (Rattus norvegicus (rat))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by PDSP K_i Database									J Pharmacol Exp Ther 289: 926-35 (1999) BindingDB Entry DOI: 10.7270/Q2GM85VG
					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]-sauvagine from Corticotropin releasing factor receptor 1 endogenously expressed in IMR-32 human neuroblastoma cells				Bioorg Med Chem Lett 12: 2133-6 (2002) BindingDB Entry DOI: 10.7270/Q2SQ8ZPK
Neurogen Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
Neurogen Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound against [125I]-Try0-o-Corticotropin-releasing Factor to Corticotropin releasing hormone receptor 1 from ovine				J Med Chem 40: 1749-54 (1997) Article DOI: 10.1021/jm960861b BindingDB Entry DOI: 10.7270/Q2SJ1JQP
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity for Corticotropin releasing factor receptor 1				Bioorg Med Chem Lett 9: 1063-6 (1999) BindingDB Entry DOI: 10.7270/Q21V5D5N
DuPont Pharmaceuticals Company Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells				Bioorg Med Chem Lett 15: 3870-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.117 BindingDB Entry DOI: 10.7270/Q269733T
Pharmaceutical Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Displacement of [125I]-TYR-ovine CRH from cloned human corticotropin releasing factor receptor 1 expressed in 293 EBNA cells				Bioorg Med Chem Lett 9: 1057-62 (1999) BindingDB Entry DOI: 10.7270/Q25M64WZ
DuPont Pharmaceuticals Company Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
Neurogen Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CRF-1 receptor				J Med Chem 54: 4187-206 (2011) Article DOI: 10.1021/jm200365y BindingDB Entry DOI: 10.7270/Q2XS5VR1
Neurogen Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...				Bioorg Med Chem Lett 13: 3997-4000 (2003) BindingDB Entry DOI: 10.7270/Q2MW2GJW
					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells				Bioorg Med Chem Lett 15: 3870-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.117 BindingDB Entry DOI: 10.7270/Q269733T
Pharmaceutical Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 8: 2067-70 (1999) BindingDB Entry DOI: 10.7270/Q2125RTC
Warner-Lambert Company Curated by ChEMBL					More data for this Ligand-Target Pair
CRF2 Beta (RAT)	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-Tyr0-sauvagine to Corticotropin releasing hormone receptor 2 (CRF2)				J Med Chem 40: 1749-54 (1997) Article DOI: 10.1021/jm960861b BindingDB Entry DOI: 10.7270/Q2SJ1JQP
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
CRF2 Beta (RAT)	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by PDSP K_i Database									J Pharmacol Exp Ther 289: 926-35 (1999) BindingDB Entry DOI: 10.7270/Q2GM85VG
					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor (Rattus norvegicus (rat))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of binding of 70 pM [125I]-Try0-o-Corticotropin-releasing Factor (CFR) to Corticotropin releasing hormone receptor 1 in Rat brain membrane				J Med Chem 40: 1749-54 (1997) Article DOI: 10.1021/jm960861b BindingDB Entry DOI: 10.7270/Q2SJ1JQP
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithkline Curated by ChEMBL					Assay Description Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 5218-21 (2007) Article DOI: 10.1016/j.bmcl.2007.06.077 BindingDB Entry DOI: 10.7270/Q2P55PS1
GlaxoSmithkline Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of ovine [125I]CRF from human CRF1 receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 2365-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.086 BindingDB Entry DOI: 10.7270/Q20Z73JB
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					More data for this Ligand-Target Pair