Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50007093   

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))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)| Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/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	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound against [125I]-Try0-o-Corticotropin-releasing Factor to Corticotropin releasing hormone receptor 1 from ovine				J Med Chem 40: 1749-54 (1997) Article DOI: 10.1021/jm960861b BindingDB Entry DOI: 10.7270/Q2SJ1JQP
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 2 (RAT)	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)| Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-Tyr0-sauvagine to Corticotropin releasing hormone receptor 2 (CRF2)				J Med Chem 40: 1749-54 (1997) Article DOI: 10.1021/jm960861b BindingDB Entry DOI: 10.7270/Q2SJ1JQP
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)| Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/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	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of binding of 70 pM [125I]-Try0-o-Corticotropin-releasing Factor (CFR) to Corticotropin releasing hormone receptor 1 in Rat brain membrane				J Med Chem 40: 1749-54 (1997) Article DOI: 10.1021/jm960861b BindingDB Entry DOI: 10.7270/Q2SJ1JQP
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50058164 (But-2-enyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl...) Show SMILES CCN(C\C=C\C)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(7.05,-2.18,;6.86,-3.71,;5.44,-4.3,;4.32,-3.2,;2.85,-3.59,;1.76,-2.5,;.26,-2.9,;5.44,-5.84,;4.11,-6.61,;4.11,-8.15,;2.78,-8.92,;5.44,-8.92,;6.77,-8.15,;8.24,-8.63,;9.15,-7.38,;8.24,-6.12,;8.72,-4.67,;6.77,-6.61,;8.73,-10.1,;7.7,-11.23,;6.19,-10.92,;8.17,-12.7,;9.67,-13.02,;10.16,-14.49,;10.71,-11.86,;10.23,-10.41,;11.25,-9.26,)| Show InChI InChI=1S/C23H30N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h8,10,12-14H,9,11H2,1-7H3/b10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of binding of 70 pM [125I]-Try0-o-Corticotropin-releasing Factor (CFR) to Corticotropin releasing hormone receptor 1 in Rat brain membrane				J Med Chem 40: 1749-54 (1997) Article DOI: 10.1021/jm960861b BindingDB Entry DOI: 10.7270/Q2SJ1JQP
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50058167 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES CCCCNc1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-1.47,2.21,;.02,2.6,;1.1,1.51,;2.59,1.9,;3.69,.81,;3.7,-.73,;2.38,-1.51,;2.38,-3.05,;1.03,-3.82,;3.7,-3.82,;5.04,-3.05,;6.51,-3.53,;7.42,-2.27,;6.51,-1.02,;6.97,.43,;5.04,-1.5,;6.99,-4.99,;8.48,-5.3,;9.5,-4.15,;8.95,-6.76,;7.93,-7.91,;8.41,-9.37,;6.43,-7.58,;5.95,-6.13,;4.43,-5.81,)| Show InChI InChI=1S/C21H28N4/c1-7-8-9-22-20-18-16(5)12-25(21(18)24-17(6)23-20)19-14(3)10-13(2)11-15(19)4/h10-12H,7-9H2,1-6H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of binding of 70 pM [125I]-Try0-o-Corticotropin-releasing Factor (CFR) to Corticotropin releasing hormone receptor 1 in Rat brain membrane				J Med Chem 40: 1749-54 (1997) Article DOI: 10.1021/jm960861b BindingDB Entry DOI: 10.7270/Q2SJ1JQP
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50058165 (CHEMBL49217 | [2,5-Dimethyl-7-(2,4,6-trimethyl-phe...) Show SMILES CCNc1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(1.1,1.51,;2.59,1.9,;3.69,.81,;3.7,-.73,;2.38,-1.51,;2.38,-3.05,;1.03,-3.82,;3.7,-3.82,;5.04,-3.05,;6.51,-3.53,;7.42,-2.27,;6.51,-1.02,;6.97,.43,;5.04,-1.5,;6.99,-4.99,;8.48,-5.3,;9.5,-4.15,;8.95,-6.76,;7.93,-7.91,;8.41,-9.37,;6.43,-7.58,;5.95,-6.13,;4.43,-5.81,)| Show InChI InChI=1S/C19H24N4/c1-7-20-18-16-14(5)10-23(19(16)22-15(6)21-18)17-12(3)8-11(2)9-13(17)4/h8-10H,7H2,1-6H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of binding of 70 pM [125I]-Try0-o-Corticotropin-releasing Factor (CFR) to Corticotropin releasing hormone receptor 1 in Rat brain membrane				J Med Chem 40: 1749-54 (1997) Article DOI: 10.1021/jm960861b BindingDB Entry DOI: 10.7270/Q2SJ1JQP
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50058166 (2,5-Dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-pyrrolo...) Show SMILES Cc1cn(-c2c(C)cc(C)cc2C)c2nc(C)nc(N)c12 |(6.98,.43,;6.51,-1.03,;7.42,-2.27,;6.51,-3.53,;6.99,-5,;8.48,-5.3,;9.51,-4.16,;8.96,-6.76,;7.93,-7.91,;8.41,-9.38,;6.43,-7.58,;5.95,-6.13,;4.44,-5.81,;5.04,-3.05,;3.71,-3.82,;2.38,-3.05,;1.03,-3.82,;2.38,-1.51,;3.71,-.73,;3.69,.81,;5.04,-1.5,)| Show InChI InChI=1S/C17H20N4/c1-9-6-10(2)15(11(3)7-9)21-8-12(4)14-16(18)19-13(5)20-17(14)21/h6-8H,1-5H3,(H2,18,19,20)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of binding of 70 pM [125I]-Try0-o-Corticotropin-releasing Factor (CFR) to Corticotropin releasing hormone receptor 1 in Rat brain membrane				J Med Chem 40: 1749-54 (1997) Article DOI: 10.1021/jm960861b BindingDB Entry DOI: 10.7270/Q2SJ1JQP
					More data for this Ligand-Target Pair