BDBM50389527 CHEMBL2063369

SMILES: CCCN(CCC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC

InChI Key: InChIKey=ZUXROILSBNUMPQ-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 = 50389527   

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))	BDBM50389527 (CHEMBL2063369) Show SMILES CCCN(CCC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(41.21,8.74,;41.21,7.19,;39.88,6.41,;39.89,4.87,;41.22,4.11,;42.55,4.88,;43.89,4.12,;38.56,4.1,;37.22,4.86,;35.89,4.09,;35.89,2.55,;34.56,1.78,;37.22,1.78,;37.22,.24,;38.55,-.53,;39.89,.24,;41.23,-.52,;39.89,1.78,;38.56,2.55,;38.56,-2.07,;37.22,-2.84,;35.89,-2.07,;34.55,-2.84,;37.22,-4.38,;38.55,-5.15,;38.56,-6.69,;37.22,-7.46,;35.89,-6.69,;39.89,-4.37,;39.89,-2.83,;41.22,-2.06,;42.55,-2.83,)| Show InChI InChI=1S/C27H36N2O3/c1-8-12-29(13-9-2)22-11-10-18(3)26-21(22)14-19(4)27(28-26)25-23(31-6)15-20(17-30-5)16-24(25)32-7/h10-11,14-16H,8-9,12-13,17H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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-induced intracellular cAMP production preincubated...				Bioorg Med Chem 20: 6559-78 (2012) Article DOI: 10.1016/j.bmc.2012.09.028 BindingDB Entry DOI: 10.7270/Q2B56KVZ
					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50389527 (CHEMBL2063369) Show SMILES CCCN(CCC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(41.21,8.74,;41.21,7.19,;39.88,6.41,;39.89,4.87,;41.22,4.11,;42.55,4.88,;43.89,4.12,;38.56,4.1,;37.22,4.86,;35.89,4.09,;35.89,2.55,;34.56,1.78,;37.22,1.78,;37.22,.24,;38.55,-.53,;39.89,.24,;41.23,-.52,;39.89,1.78,;38.56,2.55,;38.56,-2.07,;37.22,-2.84,;35.89,-2.07,;34.55,-2.84,;37.22,-4.38,;38.55,-5.15,;38.56,-6.69,;37.22,-7.46,;35.89,-6.69,;39.89,-4.37,;39.89,-2.83,;41.22,-2.06,;42.55,-2.83,)| Show InChI InChI=1S/C27H36N2O3/c1-8-12-29(13-9-2)22-11-10-18(3)26-21(22)14-19(4)27(28-26)25-23(31-6)15-20(17-30-5)16-24(25)32-7/h10-11,14-16H,8-9,12-13,17H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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))	BDBM50389527 (CHEMBL2063369) Show SMILES CCCN(CCC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(41.21,8.74,;41.21,7.19,;39.88,6.41,;39.89,4.87,;41.22,4.11,;42.55,4.88,;43.89,4.12,;38.56,4.1,;37.22,4.86,;35.89,4.09,;35.89,2.55,;34.56,1.78,;37.22,1.78,;37.22,.24,;38.55,-.53,;39.89,.24,;41.23,-.52,;39.89,1.78,;38.56,2.55,;38.56,-2.07,;37.22,-2.84,;35.89,-2.07,;34.55,-2.84,;37.22,-4.38,;38.55,-5.15,;38.56,-6.69,;37.22,-7.46,;35.89,-6.69,;39.89,-4.37,;39.89,-2.83,;41.22,-2.06,;42.55,-2.83,)| Show InChI InChI=1S/C27H36N2O3/c1-8-12-29(13-9-2)22-11-10-18(3)26-21(22)14-19(4)27(28-26)25-23(31-6)15-20(17-30-5)16-24(25)32-7/h10-11,14-16H,8-9,12-13,17H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	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))	BDBM50389527 (CHEMBL2063369) Show SMILES CCCN(CCC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(41.21,8.74,;41.21,7.19,;39.88,6.41,;39.89,4.87,;41.22,4.11,;42.55,4.88,;43.89,4.12,;38.56,4.1,;37.22,4.86,;35.89,4.09,;35.89,2.55,;34.56,1.78,;37.22,1.78,;37.22,.24,;38.55,-.53,;39.89,.24,;41.23,-.52,;39.89,1.78,;38.56,2.55,;38.56,-2.07,;37.22,-2.84,;35.89,-2.07,;34.55,-2.84,;37.22,-4.38,;38.55,-5.15,;38.56,-6.69,;37.22,-7.46,;35.89,-6.69,;39.89,-4.37,;39.89,-2.83,;41.22,-2.06,;42.55,-2.83,)| Show InChI InChI=1S/C27H36N2O3/c1-8-12-29(13-9-2)22-11-10-18(3)26-21(22)14-19(4)27(28-26)25-23(31-6)15-20(17-30-5)16-24(25)32-7/h10-11,14-16H,8-9,12-13,17H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	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 counting				Bioorg Med Chem 20: 6559-78 (2012) Article DOI: 10.1016/j.bmc.2012.09.028 BindingDB Entry DOI: 10.7270/Q2B56KVZ
					More data for this Ligand-Target Pair