BindingDB PrimarySearch

BDBM50054245 5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''-(2,4,6-trichloro-phenyl)-pyrimidine-4,6-diamine::5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N'-(2,4,6-trichloro-phenyl)-pyrimidine-4,6-diamine::CHEMBL45281::cid_176157

SMILES: CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl

InChI Key: InChIKey=KNADXBVKFAUMCR-UHFFFAOYSA-N

Data: 9 KI 1 IC50 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50054245
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))	BDBM50054245 (5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of [125I]-CRF binding to human Corticotropin releasing factor receptor 1 tested at 6-12 doses				J Med Chem 39: 4358-60 (1996) Article DOI: 10.1021/jm960149e BindingDB Entry DOI: 10.7270/Q29022V6
Neurocrine Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50054245 (5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Wollongong Curated by ChEMBL					Assay Description Inhibition of [125I]-CRH binding to human Corticotropin releasing factor receptor 1.				J Med Chem 42: 2351-7 (1999) Article DOI: 10.1021/jm9900117 BindingDB Entry DOI: 10.7270/Q2WS8SF0
The University of Wollongong Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50054245 (5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells				J Med Chem 48: 1540-9 (2005) Article DOI: 10.1021/jm049339c BindingDB Entry DOI: 10.7270/Q29P32DN
Neurocrine Biosciences Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50054245 (5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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))	BDBM50054245 (5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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))	BDBM50054245 (5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Bioscience, Inc. Curated by ChEMBL					Assay Description Binding affinity for recombinant human CRF1 receptor				Bioorg Med Chem Lett 14: 3869-73 (2004) Article DOI: 10.1016/j.bmcl.2004.05.072 BindingDB Entry DOI: 10.7270/Q23J3CD4
Neurocrine Bioscience, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50054245 (5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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))	BDBM50054245 (5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	20	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 (Rattus norvegicus (rat))	BDBM50054245 (5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity towards Corticotropin releasing hormone receptor type 1 of rat cerebellum using [125I]-Tyr-sauvagine as radioligand.				Bioorg Med Chem Lett 11: 331-3 (2001) BindingDB Entry DOI: 10.7270/Q21G0KHH
NIDDK Curated by ChEMBL					More data for this Ligand-Target Pair
streptokinase A precursor (Streptococcus pyogenes M1 GAS)	BDBM50054245 (5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50054245 (5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.95E+3	n/a	n/a	n/a	n/a
City of Hope National Medical Center Curated by ChEMBL					Assay Description Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase re...				Bioorg Med Chem 21: 4266-78 (2013) Article DOI: 10.1016/j.bmc.2013.04.069 BindingDB Entry DOI: 10.7270/Q2J67J9Z
City of Hope National Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50054245 (5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
City of Hope National Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay				Bioorg Med Chem 21: 4266-78 (2013) Article DOI: 10.1016/j.bmc.2013.04.069 BindingDB Entry DOI: 10.7270/Q2J67J9Z
City of Hope National Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair