BDBM50351375 CHEMBL1819065

SMILES: CCC(CC)Nc1c2CSCc2nc2c(c(C)nn12)-c1ccc(OC)cc1C

InChI Key: InChIKey=KKWGEXKIRPFRKL-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50351375   

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))	BDBM50351375 (CHEMBL1819065) Show SMILES CCC(CC)Nc1c2CSCc2nc2c(c(C)nn12)-c1ccc(OC)cc1C |(31.02,-13.82,;29.68,-14.56,;29.65,-16.1,;30.97,-16.9,;32.31,-16.15,;28.3,-16.85,;28.27,-18.39,;26.92,-19.13,;25.46,-18.63,;24.53,-19.86,;25.41,-21.12,;26.89,-20.67,;28.21,-21.47,;29.57,-20.71,;31.02,-21.21,;31.94,-19.97,;33.48,-19.99,;31.05,-18.72,;29.59,-19.18,;31.48,-22.68,;30.44,-23.8,;30.9,-25.27,;32.4,-25.61,;32.86,-27.08,;31.82,-28.22,;33.44,-24.47,;32.98,-23.01,;34.02,-21.87,)| Show InChI InChI=1S/C22H28N4OS/c1-6-15(7-2)23-21-18-11-28-12-19(18)24-22-20(14(4)25-26(21)22)17-9-8-16(27-5)10-13(17)3/h8-10,15,23H,6-7,11-12H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP productio...				Bioorg Med Chem 19: 5432-45 (2011) Article DOI: 10.1016/j.bmc.2011.07.055 BindingDB Entry DOI: 10.7270/Q2Z038JX
					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50351375 (CHEMBL1819065) Show SMILES CCC(CC)Nc1c2CSCc2nc2c(c(C)nn12)-c1ccc(OC)cc1C |(31.02,-13.82,;29.68,-14.56,;29.65,-16.1,;30.97,-16.9,;32.31,-16.15,;28.3,-16.85,;28.27,-18.39,;26.92,-19.13,;25.46,-18.63,;24.53,-19.86,;25.41,-21.12,;26.89,-20.67,;28.21,-21.47,;29.57,-20.71,;31.02,-21.21,;31.94,-19.97,;33.48,-19.99,;31.05,-18.72,;29.59,-19.18,;31.48,-22.68,;30.44,-23.8,;30.9,-25.27,;32.4,-25.61,;32.86,-27.08,;31.82,-28.22,;33.44,-24.47,;32.98,-23.01,;34.02,-21.87,)| Show InChI InChI=1S/C22H28N4OS/c1-6-15(7-2)23-21-18-11-28-12-19(18)24-22-20(14(4)25-26(21)22)17-9-8-16(27-5)10-13(17)3/h8-10,15,23H,6-7,11-12H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma counting				Bioorg Med Chem 19: 5432-45 (2011) Article DOI: 10.1016/j.bmc.2011.07.055 BindingDB Entry DOI: 10.7270/Q2Z038JX
					More data for this Ligand-Target Pair