Compile Data Set for Download or QSAR
Found 19 Enz. Inhib. hit(s) with Target = 'Corticotropin-releasing factor receptor 1' and Ligand = 'BDBM50116105'
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataKi:  2.60nMAssay Description:Displacement of [125I]-Tyr0-sauvagine from human CRF1 receptor expressed in HEK293T cells after 2 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataKi:  3nMAssay Description:Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cellsMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataKi:  3nMAssay Description:Displacement of [125I]-Tyr0-sauvagine from CRF1 receptor (unknown origin)More data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataKi:  3nMAssay Description:Antagonist activity at human CRF-1 receptorMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataKi:  3.5nMAssay Description:Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptorMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Rattus norvegicus (rat))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataKi:  3.80nMAssay Description:Displacement of [125I]-sauvagine from rat CRF-1 receptor expressed in rat cortical membrane after 2 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataKi:  3.98nMAssay Description:Antagonist activity at human recombinant CRF1 receptorMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataKi:  5nMAssay Description:Displacement of [125I]-sauvagine from Corticotropin releasing factor receptor 1 endogenously expressed in IMR-32 human neuroblastoma cellsMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataKi:  7.80nMAssay Description:Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cellsMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataKi:  8.30nMAssay Description:Antagonist activity at human CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF-stimulated cAMP accumulationMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataKi:  12nMAssay Description:Antagonist activity at recombinant human CRF1 receptor expressed in CHO cells assessed as inhibition of CRF-induced cAMP formationMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataIC50: 4nMAssay Description:Antagonist activity at CRF1 receptor in human IMR32 cells assessed as inhibition of CRF-induced intracellular cAMP accumulation after 30 mins by immu...More data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataIC50: 8.5nMAssay Description:Displacement of [125I]-CRF from human CRF1 receptor expressed in CHO cellular membrane fraction after 1.5 hrs by liquid scintillation counting methodMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataIC50: 17nMAssay Description:Displacement of ovine [125-I]-CRF from human CRF1 receptor expressed in CHO cell membranes preincubated for 1 hr followed by [125I]-CRF addition meas...More data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataIC50: 28.2nMAssay Description:Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataIC50: 50nMAssay Description:Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptorMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataIC50: 50nMAssay Description:Inhibition of CRF stimulated cAMP production in CHO cells expressing CRF1 receptorMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataIC50: 67nMAssay Description:Displacement of ovine [125-I]-CRF from human CRF1 receptor expressed in CHO cell membranes preincubated for 1 hr followed by compound washout for 2 h...More data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50116105(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
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
Affinity DataKd:  0.303nMAssay Description:Binding affinity to recombinant human CRF1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair