BDBM50387026 CHEMBL2046526

SMILES: CCCN(CCC)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12

InChI Key: InChIKey=QNEGIRBIDXLQTH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50387026   

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
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50387026 (CHEMBL2046526) Show SMILES CCCN(CCC)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12 Show InChI InChI=1S/C26H34N2O4/c1-7-12-28(13-8-2)22-11-9-10-21-20(22)14-18(3)26(27-21)32-25-23(30-5)15-19(17-29-4)16-24(25)31-6/h9-11,14-16H,7-8,12-13,17H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay				Bioorg Med Chem Lett 22: 4756-61 (2012) Article DOI: 10.1016/j.bmcl.2012.05.066 BindingDB Entry DOI: 10.7270/Q21837JW
					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50387026 (CHEMBL2046526) Show SMILES CCCN(CCC)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12 Show InChI InChI=1S/C26H34N2O4/c1-7-12-28(13-8-2)22-11-9-10-21-20(22)14-18(3)26(27-21)32-25-23(30-5)15-19(17-29-4)16-24(25)31-6/h9-11,14-16H,7-8,12-13,17H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 3...				Bioorg Med Chem Lett 22: 5372-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.047 BindingDB Entry DOI: 10.7270/Q2736S12
					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50387026 (CHEMBL2046526) Show SMILES CCCN(CCC)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12 Show InChI InChI=1S/C26H34N2O4/c1-7-12-28(13-8-2)22-11-9-10-21-20(22)14-18(3)26(27-21)32-25-23(30-5)15-19(17-29-4)16-24(25)31-6/h9-11,14-16H,7-8,12-13,17H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs				Bioorg Med Chem Lett 22: 5372-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.047 BindingDB Entry DOI: 10.7270/Q2736S12
					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50387026 (CHEMBL2046526) Show SMILES CCCN(CCC)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12 Show InChI InChI=1S/C26H34N2O4/c1-7-12-28(13-8-2)22-11-9-10-21-20(22)14-18(3)26(27-21)32-25-23(30-5)15-19(17-29-4)16-24(25)31-6/h9-11,14-16H,7-8,12-13,17H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation preincu...				Bioorg Med Chem Lett 22: 4756-61 (2012) Article DOI: 10.1016/j.bmcl.2012.05.066 BindingDB Entry DOI: 10.7270/Q21837JW
					More data for this Ligand-Target Pair