Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50042845   

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))	BDBM50395822 (CHEMBL1762817) Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Br)cc1Cl |(-.62,5.04,;-1.96,5.81,;-3.29,5.03,;-4.63,5.8,;-5.96,5.03,;-7.29,5.79,;-8.63,5.02,;-9.96,5.78,;-11.29,5.01,;-5.95,3.49,;-7.28,2.71,;-7.28,1.17,;-8.62,.4,;-5.95,.4,;-4.62,1.17,;-3.14,.69,;-2.23,1.95,;-.69,1.95,;-3.14,3.2,;-4.62,2.72,;-2.34,-.61,;-3.16,-1.92,;-2.44,-3.28,;-.9,-3.34,;-.17,-4.69,;-.08,-2.02,;-.8,-.67,;.01,.64,)| Show InChI InChI=1S/C19H23BrClN5O2/c1-12-17(15-6-5-14(20)11-16(15)21)18-22-13(2)23-19(26(18)24-12)25(7-9-27-3)8-10-28-4/h5-6,11H,7-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to CRF1 receptor (unknown origin)				Bioorg Med Chem Lett 23: 2052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50432097 (CHEMBL2349560) Show SMILES COc1cc(Cl)c(Nc2nc(Br)cn([C@@H](COCCF)C3CC3)c2=O)c(Cl)c1 |r| Show InChI InChI=1S/C18H19BrCl2FN3O3/c1-27-11-6-12(20)16(13(21)7-11)24-17-18(26)25(8-15(19)23-17)14(10-2-3-10)9-28-5-4-22/h6-8,10,14H,2-5,9H2,1H3,(H,23,24)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 2052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50432099 (CHEMBL2349558) Show SMILES COc1cc(C)c(Nc2nc(Cl)cn([C@@H](COCCF)C3CC3)c2=O)cc1C |r| Show InChI InChI=1S/C20H25ClFN3O3/c1-12-9-17(27-3)13(2)8-15(12)23-19-20(26)25(10-18(21)24-19)16(14-4-5-14)11-28-7-6-22/h8-10,14,16H,4-7,11H2,1-3H3,(H,23,24)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 2052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50432098 (CHEMBL2349559) Show SMILES COc1cc(Cl)c(Nc2nc(Cl)cn([C@@H](COCCF)C3CC3)c2=O)c(Cl)c1 |r| Show InChI InChI=1S/C18H19Cl3FN3O3/c1-27-11-6-12(19)16(13(20)7-11)24-17-18(26)25(8-15(21)23-17)14(10-2-3-10)9-28-5-4-22/h6-8,10,14H,2-5,9H2,1H3,(H,23,24)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 2052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50432102 (CHEMBL2349570) Show SMILES COc1cc(C)c(Nc2nc(C)cn([C@@H](CF)C3CC3)c2=O)cc1C |r| Show InChI InChI=1S/C19H24FN3O2/c1-11-8-17(25-4)12(2)7-15(11)22-18-19(24)23(10-13(3)21-18)16(9-20)14-5-6-14/h7-8,10,14,16H,5-6,9H2,1-4H3,(H,21,22)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 2052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50432103 (CHEMBL2349569) Show SMILES COc1cc(C)c(Nc2nc(Cl)cn([C@@H](CF)C3CC3)c2=O)cc1C |r| Show InChI InChI=1S/C18H21ClFN3O2/c1-10-7-15(25-3)11(2)6-13(10)21-17-18(24)23(9-16(19)22-17)14(8-20)12-4-5-12/h6-7,9,12,14H,4-5,8H2,1-3H3,(H,21,22)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 2052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50432105 (CHEMBL2349567) Show SMILES COc1cc2CCN(c2c(Cl)c1)c1nc(Cl)cn([C@@H](COCCF)C2CC2)c1=O |r| Show InChI InChI=1S/C20H22Cl2FN3O3/c1-28-14-8-13-4-6-25(18(13)15(21)9-14)19-20(27)26(10-17(22)24-19)16(12-2-3-12)11-29-7-5-23/h8-10,12,16H,2-7,11H2,1H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 2052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50432108 (CHEMBL2349564) Show SMILES Cc1cc(cc(Cl)c1Nc1nc(Cl)cn([C@@H](COCCF)C2CC2)c1=O)C#N |r| Show InChI InChI=1S/C19H19Cl2FN4O2/c1-11-6-12(8-23)7-14(20)17(11)25-18-19(27)26(9-16(21)24-18)15(13-2-3-13)10-28-5-4-22/h6-7,9,13,15H,2-5,10H2,1H3,(H,24,25)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 2052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50432101 (CHEMBL2349571) Show SMILES COc1nc(C)c(Nc2nc(C)cn([C@@H](CF)C3CC3)c2=O)cc1C |r| Show InChI InChI=1S/C18H23FN4O2/c1-10-7-14(12(3)21-17(10)25-4)22-16-18(24)23(9-11(2)20-16)15(8-19)13-5-6-13/h7,9,13,15H,5-6,8H2,1-4H3,(H,20,22)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 2052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50432106 (CHEMBL2349566) Show SMILES FCCOC[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C#N)c1=O |r| Show InChI InChI=1S/C18H16Cl3FN4O2/c19-12-5-10(7-23)6-13(20)16(12)25-17-18(27)26(8-15(21)24-17)14(11-1-2-11)9-28-4-3-22/h5-6,8,11,14H,1-4,9H2,(H,24,25)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 2052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50432107 (CHEMBL2349565) Show SMILES Cc1cc(cc(C)c1Nc1nc(Cl)cn([C@@H](COCCF)C2CC2)c1=O)C#N |r| Show InChI InChI=1S/C20H22ClFN4O2/c1-12-7-14(9-23)8-13(2)18(12)25-19-20(27)26(10-17(21)24-19)16(15-3-4-15)11-28-6-5-22/h7-8,10,15-16H,3-6,11H2,1-2H3,(H,24,25)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 2052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50432111 (CHEMBL2349561) Show SMILES COc1cc(Cl)c(Nc2nc(cn([C@@H](COCCF)C3CC3)c2=O)C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H19Cl2FN4O3/c1-28-13-6-14(20)17(15(21)7-13)25-18-19(27)26(9-12(8-23)24-18)16(11-2-3-11)10-29-5-4-22/h6-7,9,11,16H,2-5,10H2,1H3,(H,24,25)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 2052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50432109 (CHEMBL2349563) Show SMILES COc1nc(Cl)nc(C)c1Nc1nc(Br)cn([C@@H](COCCF)C2CC2)c1=O |r| Show InChI InChI=1S/C17H20BrClFN5O3/c1-9-13(15(27-2)24-17(19)21-9)23-14-16(26)25(7-12(18)22-14)11(10-3-4-10)8-28-6-5-20/h7,10-11H,3-6,8H2,1-2H3,(H,22,23)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 2052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50432110 (CHEMBL2349562) Show SMILES COc1nc(Cl)nc(C)c1Nc1nc(Cl)cn([C@@H](COCCF)C2CC2)c1=O |r| Show InChI InChI=1S/C17H20Cl2FN5O3/c1-9-13(15(27-2)24-17(19)21-9)23-14-16(26)25(7-12(18)22-14)11(10-3-4-10)8-28-6-5-20/h7,10-11H,3-6,8H2,1-2H3,(H,22,23)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 2052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50432100 (CHEMBL2349572) Show SMILES COc1nc(C)c(Nc2nc(Cl)cn(C(CCF)C3CC3)c2=O)c(OC)n1 Show InChI InChI=1S/C17H21ClFN5O3/c1-9-13(15(26-2)23-17(20-9)27-3)22-14-16(25)24(8-12(18)21-14)11(6-7-19)10-4-5-10/h8,10-11H,4-7H2,1-3H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 2052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50432104 (CHEMBL2349568) Show SMILES FCCOC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(F)c(cc2F)C#N)c1=O |r| Show InChI InChI=1S/C18H16ClF3N4O2/c19-16-8-26(15(10-1-2-10)9-28-4-3-20)18(27)17(25-16)24-14-6-12(21)11(7-23)5-13(14)22/h5-6,8,10,15H,1-4,9H2,(H,24,25)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 2052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3
					More data for this Ligand-Target Pair