Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50009764   

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 (Rattus norvegicus (rat))	BDBM50087556 ((4-Fluoro-butyl)-propyl-[2,5,6-trimethyl-7-(2,4,6-...) Show SMILES CCCN(CCCCF)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(7.65,-.09,;7.16,-1.55,;8.19,-2.71,;7.72,-4.17,;6.2,-4.5,;5.18,-3.35,;3.67,-3.67,;2.64,-2.53,;1.13,-2.84,;8.75,-5.32,;8.28,-6.79,;9.31,-7.93,;8.85,-9.41,;10.81,-7.61,;11.29,-6.15,;12.7,-5.53,;12.54,-3.98,;13.69,-2.95,;11.02,-3.67,;10.4,-2.25,;10.26,-5,;14.04,-6.29,;14.04,-7.84,;12.7,-8.61,;15.37,-8.61,;16.7,-7.84,;18.05,-8.61,;16.7,-6.29,;15.37,-5.52,;15.36,-3.97,)| Show InChI InChI=1S/C25H35FN4/c1-8-12-29(13-10-9-11-26)24-22-19(5)20(6)30(25(22)28-21(7)27-24)23-17(3)14-16(2)15-18(23)4/h14-15H,8-13H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to displace [125 I]Tyr-sauvagine from corticotropin-releasing hormone type 1 receptor in rat cerebellum				Bioorg Med Chem Lett 10: 707-10 (2000) BindingDB Entry DOI: 10.7270/Q2SB44ZX
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50087559 (CHEMBL164206 | Cyclopropylmethyl-propyl-[2,5,6-tri...) Show SMILES CCCN(CC1CC1)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(2.88,-3.62,;4.39,-3.31,;5.41,-4.46,;6.91,-4.14,;7.4,-2.67,;6.37,-1.52,;6.03,-.01,;4.9,-1.05,;7.96,-5.28,;7.47,-6.74,;8.52,-7.89,;8.03,-9.36,;10.01,-7.57,;10.48,-6.1,;11.88,-5.48,;11.72,-3.95,;12.86,-2.92,;10.22,-3.62,;9.6,-2.22,;9.46,-4.95,;13.21,-6.25,;13.21,-7.79,;11.88,-8.56,;14.54,-8.56,;15.89,-7.79,;17.23,-8.56,;15.89,-6.24,;14.54,-5.47,;14.54,-3.93,)| Show InChI InChI=1S/C25H34N4/c1-8-11-28(14-21-9-10-21)24-22-18(5)19(6)29(25(22)27-20(7)26-24)23-16(3)12-15(2)13-17(23)4/h12-13,21H,8-11,14H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to displace [125 I]Tyr-sauvagine from corticotropin-releasing hormone type 1 receptor in rat cerebellum				Bioorg Med Chem Lett 10: 707-10 (2000) BindingDB Entry DOI: 10.7270/Q2SB44ZX
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50074501 (Butyl-ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-ph...) Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(4.9,1.82,;3.57,2.56,;2.24,1.79,;.91,2.55,;-.44,1.78,;-1.76,2.55,;-3.1,1.78,;-.42,.25,;-1.75,-.52,;-1.75,-2.06,;-3.08,-2.83,;-.42,-2.83,;.91,-2.06,;2.38,-2.54,;3.31,-1.29,;4.85,-1.29,;2.38,-.03,;2.86,1.43,;.91,-.52,;2.86,-4.02,;4.37,-4.33,;5.39,-3.17,;4.85,-5.78,;3.82,-6.93,;4.31,-8.4,;2.32,-6.61,;1.84,-5.14,;.33,-4.82,)| Show InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to displace [125 I]Tyr-sauvagine from corticotropin-releasing hormone type 1 receptor in rat cerebellum				Bioorg Med Chem Lett 10: 707-10 (2000) BindingDB Entry DOI: 10.7270/Q2SB44ZX
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50087560 (CHEMBL348967 | Ethyl-(4-fluoro-butyl)-[2,5,6-trime...) Show SMILES CCN(CCCCF)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(6.4,-1.55,;7.43,-2.71,;6.95,-4.16,;5.44,-4.49,;4.42,-3.34,;2.9,-3.66,;1.87,-2.52,;.37,-2.83,;7.98,-5.3,;7.5,-6.77,;8.54,-7.91,;8.07,-9.38,;10.04,-7.59,;10.5,-6.13,;11.92,-5.51,;11.76,-3.97,;12.9,-2.95,;10.25,-3.66,;9.62,-2.25,;9.48,-4.99,;13.25,-6.27,;13.25,-7.82,;11.9,-8.59,;14.58,-8.59,;15.92,-7.82,;17.24,-8.59,;15.92,-6.27,;14.58,-5.5,;14.56,-3.97,)| Show InChI InChI=1S/C24H33FN4/c1-8-28(12-10-9-11-25)23-21-18(5)19(6)29(24(21)27-20(7)26-23)22-16(3)13-15(2)14-17(22)4/h13-14H,8-12H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to displace [125 I]Tyr-sauvagine from corticotropin-releasing hormone type 1 receptor in rat cerebellum				Bioorg Med Chem Lett 10: 707-10 (2000) BindingDB Entry DOI: 10.7270/Q2SB44ZX
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50087561 (Butyl-(4-fluoro-butyl)-[2,5,6-trimethyl-7-(2,4,6-t...) Show SMILES CCCCN(CCCCF)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(6.62,.32,;7.65,-.83,;7.16,-2.29,;8.19,-3.44,;7.72,-4.91,;6.2,-5.22,;5.18,-4.08,;3.67,-4.4,;2.64,-3.26,;1.13,-3.58,;8.75,-6.06,;8.28,-7.51,;9.31,-8.66,;8.85,-10.13,;10.81,-8.35,;11.29,-6.88,;12.7,-6.25,;12.54,-4.72,;13.69,-3.68,;11.02,-4.4,;10.4,-2.99,;10.26,-5.74,;14.04,-7.02,;14.04,-8.57,;12.7,-9.34,;15.37,-9.34,;16.7,-8.57,;18.05,-9.34,;16.7,-7.02,;15.37,-6.25,;15.36,-4.71,)| Show InChI InChI=1S/C26H37FN4/c1-8-9-13-30(14-11-10-12-27)25-23-20(5)21(6)31(26(23)29-22(7)28-25)24-18(3)15-17(2)16-19(24)4/h15-16H,8-14H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to displace [125 I]Tyr-sauvagine from corticotropin-releasing hormone type 1 receptor in rat cerebellum				Bioorg Med Chem Lett 10: 707-10 (2000) BindingDB Entry DOI: 10.7270/Q2SB44ZX
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50087557 (CHEMBL164042 | Cyclopropylmethyl-(3-fluoro-propyl)...) Show SMILES Cc1c(C)c2c(nc(C)nc2n1-c1c(C)cc(C)cc1C)N(CCCF)CC1CC1 |(12.37,-3.71,;11.23,-4.74,;9.73,-4.41,;9.1,-3.01,;8.96,-5.74,;7.47,-6.07,;6.98,-7.53,;8.02,-8.67,;7.55,-10.14,;9.52,-8.35,;9.98,-6.88,;11.4,-6.27,;12.72,-7.04,;14.05,-6.25,;14.04,-4.72,;15.39,-7.02,;15.39,-8.58,;16.72,-9.35,;14.05,-9.35,;12.72,-8.58,;11.38,-9.35,;6.43,-4.93,;4.93,-5.24,;3.9,-4.1,;2.38,-4.41,;1.36,-3.27,;6.91,-3.46,;5.88,-2.32,;5.55,-.8,;4.41,-1.84,)| Show InChI InChI=1S/C25H33FN4/c1-15-12-16(2)23(17(3)13-15)30-19(5)18(4)22-24(27-20(6)28-25(22)30)29(11-7-10-26)14-21-8-9-21/h12-13,21H,7-11,14H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to displace [125 I]Tyr-sauvagine from corticotropin-releasing hormone type 1 receptor in rat cerebellum				Bioorg Med Chem Lett 10: 707-10 (2000) BindingDB Entry DOI: 10.7270/Q2SB44ZX
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50087558 (4-[4-(2-Fluoro-ethyl)-piperazin-1-yl]-2,5,6-trimet...) Show SMILES Cc1c(C)c2c(nc(C)nc2n1-c1c(C)cc(C)cc1C)N1CCN(CCF)CC1 |(12.37,-3.71,;11.23,-4.74,;9.73,-4.41,;9.1,-3.01,;8.96,-5.74,;7.47,-6.07,;6.98,-7.53,;8.02,-8.67,;7.55,-10.14,;9.52,-8.35,;9.98,-6.88,;11.4,-6.27,;12.72,-7.04,;14.05,-6.25,;14.04,-4.72,;15.39,-7.02,;15.39,-8.58,;16.72,-9.35,;14.05,-9.35,;12.72,-8.58,;11.38,-9.35,;6.43,-4.93,;4.93,-5.25,;3.9,-4.1,;4.39,-2.63,;3.36,-1.49,;3.85,-.03,;2.82,1.12,;5.9,-2.32,;6.91,-3.46,)| Show InChI InChI=1S/C24H32FN5/c1-15-13-16(2)22(17(3)14-15)30-19(5)18(4)21-23(26-20(6)27-24(21)30)29-11-9-28(8-7-25)10-12-29/h13-14H,7-12H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to displace [125 I]Tyr-sauvagine from corticotropin-releasing hormone type 1 receptor in rat cerebellum				Bioorg Med Chem Lett 10: 707-10 (2000) BindingDB Entry DOI: 10.7270/Q2SB44ZX
					More data for this Ligand-Target Pair