Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Corticotropin-releasing factor receptor 1' and Ligand = 'BDBM50148889'   

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))	BDBM50148889 (CHEMBL121896 | [3-(2,4-Dimethoxy-phenyl)-2,5-dimet...) Show SMILES CCCN(CCOC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC |(12.65,-5.99,;12.6,-7.53,;13.92,-8.34,;13.89,-9.88,;15.19,-10.68,;15.15,-12.22,;16.47,-13.03,;16.45,-14.57,;12.53,-10.61,;12.48,-12.15,;11.11,-12.9,;11.06,-14.42,;9.8,-12.09,;9.85,-10.53,;8.75,-9.45,;9.41,-8.08,;8.68,-6.72,;10.95,-8.29,;11.22,-9.8,;7.23,-9.73,;6.72,-11.18,;5.21,-11.45,;4.21,-10.28,;2.69,-10.55,;2.18,-11.99,;4.72,-8.83,;6.24,-8.55,;6.77,-7.1,;5.79,-5.93,)| Show InChI InChI=1S/C22H30N4O3/c1-7-10-25(11-12-27-4)20-13-15(2)23-22-21(16(3)24-26(20)22)18-9-8-17(28-5)14-19(18)29-6/h8-9,13-14H,7,10-12H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to the cloned human corticotropin releasing factor receptor 1				Bioorg Med Chem Lett 14: 3669-73 (2004) Article DOI: 10.1016/j.bmcl.2004.05.019 BindingDB Entry DOI: 10.7270/Q2T72GWP
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50148889 (CHEMBL121896 | [3-(2,4-Dimethoxy-phenyl)-2,5-dimet...) Show SMILES CCCN(CCOC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC |(12.65,-5.99,;12.6,-7.53,;13.92,-8.34,;13.89,-9.88,;15.19,-10.68,;15.15,-12.22,;16.47,-13.03,;16.45,-14.57,;12.53,-10.61,;12.48,-12.15,;11.11,-12.9,;11.06,-14.42,;9.8,-12.09,;9.85,-10.53,;8.75,-9.45,;9.41,-8.08,;8.68,-6.72,;10.95,-8.29,;11.22,-9.8,;7.23,-9.73,;6.72,-11.18,;5.21,-11.45,;4.21,-10.28,;2.69,-10.55,;2.18,-11.99,;4.72,-8.83,;6.24,-8.55,;6.77,-7.1,;5.79,-5.93,)| Show InChI InChI=1S/C22H30N4O3/c1-7-10-25(11-12-27-4)20-13-15(2)23-22-21(16(3)24-26(20)22)18-9-8-17(28-5)14-19(18)29-6/h8-9,13-14H,7,10-12H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor				J Med Chem 47: 4787-98 (2004) Article DOI: 10.1021/jm040058e BindingDB Entry DOI: 10.7270/Q2N29WDR
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50148889 (CHEMBL121896 | [3-(2,4-Dimethoxy-phenyl)-2,5-dimet...) Show SMILES CCCN(CCOC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC |(12.65,-5.99,;12.6,-7.53,;13.92,-8.34,;13.89,-9.88,;15.19,-10.68,;15.15,-12.22,;16.47,-13.03,;16.45,-14.57,;12.53,-10.61,;12.48,-12.15,;11.11,-12.9,;11.06,-14.42,;9.8,-12.09,;9.85,-10.53,;8.75,-9.45,;9.41,-8.08,;8.68,-6.72,;10.95,-8.29,;11.22,-9.8,;7.23,-9.73,;6.72,-11.18,;5.21,-11.45,;4.21,-10.28,;2.69,-10.55,;2.18,-11.99,;4.72,-8.83,;6.24,-8.55,;6.77,-7.1,;5.79,-5.93,)| Show InChI InChI=1S/C22H30N4O3/c1-7-10-25(11-12-27-4)20-13-15(2)23-22-21(16(3)24-26(20)22)18-9-8-17(28-5)14-19(18)29-6/h8-9,13-14H,7,10-12H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor				J Med Chem 47: 4787-98 (2004) Article DOI: 10.1021/jm040058e BindingDB Entry DOI: 10.7270/Q2N29WDR
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50148889 (CHEMBL121896 | [3-(2,4-Dimethoxy-phenyl)-2,5-dimet...) Show SMILES CCCN(CCOC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC |(12.65,-5.99,;12.6,-7.53,;13.92,-8.34,;13.89,-9.88,;15.19,-10.68,;15.15,-12.22,;16.47,-13.03,;16.45,-14.57,;12.53,-10.61,;12.48,-12.15,;11.11,-12.9,;11.06,-14.42,;9.8,-12.09,;9.85,-10.53,;8.75,-9.45,;9.41,-8.08,;8.68,-6.72,;10.95,-8.29,;11.22,-9.8,;7.23,-9.73,;6.72,-11.18,;5.21,-11.45,;4.21,-10.28,;2.69,-10.55,;2.18,-11.99,;4.72,-8.83,;6.24,-8.55,;6.77,-7.1,;5.79,-5.93,)| Show InChI InChI=1S/C22H30N4O3/c1-7-10-25(11-12-27-4)20-13-15(2)23-22-21(16(3)24-26(20)22)18-9-8-17(28-5)14-19(18)29-6/h8-9,13-14H,7,10-12H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116614 BindingDB Entry DOI: 10.7270/Q21Z48DS
					More data for this Ligand-Target Pair