Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50040698   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50116105 (3-(6-(dimethylamino)-4-methylpyridin-3-yl)-2,5-dim...) Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(-1.91,-13.39,;-3.24,-14.16,;-4.58,-13.4,;-5.91,-14.18,;-7.24,-13.41,;-8.57,-14.19,;-9.91,-13.42,;-5.9,-15.72,;-7.22,-16.49,;-7.23,-18.03,;-8.56,-18.8,;-5.9,-18.8,;-4.55,-18.03,;-3.07,-18.5,;-2.16,-17.24,;-.62,-17.23,;-3.09,-15.99,;-4.56,-16.48,;-2.58,-19.96,;-3.61,-21.11,;-3.13,-22.57,;-1.62,-22.88,;-.59,-21.72,;-1.08,-20.27,;-.06,-19.11,;-1.13,-24.34,;.38,-24.65,;-2.15,-25.5,)| Show InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at CRF1 receptor in human IMR32 cells assessed as inhibition of CRF-induced intracellular cAMP accumulation after 30 mins by immu...				J Med Chem 55: 8450-63 (2012) Article DOI: 10.1021/jm300864p BindingDB Entry DOI: 10.7270/Q2KD202P
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50398565 (CHEMBL2179195) Show SMILES CCCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COCC)cc1OC |(2.51,-41.6,;3.29,-42.93,;4.83,-42.92,;5.59,-41.58,;7.13,-41.58,;7.85,-40.22,;9.39,-40.17,;10.11,-38.82,;9.3,-37.51,;7.76,-37.56,;7.03,-38.92,;7.67,-43.03,;6.79,-44.29,;5.26,-44.32,;4.52,-45.67,;7.72,-45.51,;9.18,-45.01,;10.66,-45.45,;11.53,-44.19,;10.6,-42.96,;9.15,-43.47,;11.4,-46.8,;10.62,-48.12,;9.08,-48.09,;8.28,-49.41,;11.36,-49.46,;12.9,-49.49,;13.65,-50.84,;15.19,-50.87,;15.93,-52.21,;17.47,-52.24,;13.69,-48.17,;12.94,-46.82,;13.74,-45.5,;12.99,-44.16,)| Show InChI InChI=1S/C26H37N3O5S/c1-6-8-11-28(19-9-12-34-13-10-19)24-25(32-5)27-29-20(17-35-26(24)29)23-21(30-3)14-18(16-33-7-2)15-22(23)31-4/h14-15,17,19H,6-13,16H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at CRF1 receptor in human IMR32 cells assessed as inhibition of CRF-induced intracellular cAMP accumulation after 30 mins by immu...				J Med Chem 55: 8450-63 (2012) Article DOI: 10.1021/jm300864p BindingDB Entry DOI: 10.7270/Q2KD202P
					More data for this Ligand-Target Pair