Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 1132   

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
Chromatin remodeling regulator CECR2 [424-538] (Homo sapiens (Human))	BDBM310905 (2-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridi...) Show SMILES CC1Oc2cc(ccc2NC1=O)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc.; Constellation Pharmaceuticals Inc. US Patent					Assay Description His/Flag epitope tagged CECR2424-538 was cloned, expressed, and purified to homogeneity. CECR2 binding and inhibition was assessed by monitoring the ...				US Patent US10150767 (2018) BindingDB Entry DOI: 10.7270/Q2V98B5W
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 [424-538] (Homo sapiens (Human))	BDBM310911 (6-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-...) Show SMILES Cn1cc(-c2ccc3CNCCc3c2)c2cc[nH]c2c1=O Show InChI InChI=1S/C17H17N3O/c1-20-10-15(14-5-7-19-16(14)17(20)21)12-2-3-13-9-18-6-4-11(13)8-12/h2-3,5,7-8,10,18-19H,4,6,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc.; Constellation Pharmaceuticals Inc. US Patent					Assay Description His/Flag epitope tagged CECR2424-538 was cloned, expressed, and purified to homogeneity. CECR2 binding and inhibition was assessed by monitoring the ...				US Patent US10150767 (2018) BindingDB Entry DOI: 10.7270/Q2V98B5W
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 [424-538] (Homo sapiens (Human))	BDBM310910 (4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N...) Show SMILES Cn1cc(-c2ccc(cc2)C(=O)Nc2ccccc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H17N3O2/c1-24-13-18(17-11-12-22-19(17)21(24)26)14-7-9-15(10-8-14)20(25)23-16-5-3-2-4-6-16/h2-13,22H,1H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc.; Constellation Pharmaceuticals Inc. US Patent					Assay Description His/Flag epitope tagged CECR2424-538 was cloned, expressed, and purified to homogeneity. CECR2 binding and inhibition was assessed by monitoring the ...				US Patent US10150767 (2018) BindingDB Entry DOI: 10.7270/Q2V98B5W
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 [424-538] (Homo sapiens (Human))	BDBM310909 (4-[4-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-m...) Show SMILES Cn1cc(-c2ccc(cc2)C(=O)N2CC(F)(F)C2)c2cc[nH]c2c1=O Show InChI InChI=1S/C18H15F2N3O2/c1-22-8-14(13-6-7-21-15(13)17(22)25)11-2-4-12(5-3-11)16(24)23-9-18(19,20)10-23/h2-8,21H,9-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc.; Constellation Pharmaceuticals Inc. US Patent					Assay Description His/Flag epitope tagged CECR2424-538 was cloned, expressed, and purified to homogeneity. CECR2 binding and inhibition was assessed by monitoring the ...				US Patent US10150767 (2018) BindingDB Entry DOI: 10.7270/Q2V98B5W
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 [424-538] (Homo sapiens (Human))	BDBM310912 (3-(2,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]c(C)cc12 Show InChI InChI=1S/C18H19N3O2/c1-11-8-14-15(10-21(4)18(23)16(14)19-11)12-6-5-7-13(9-12)17(22)20(2)3/h5-10,19H,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc.; Constellation Pharmaceuticals Inc. US Patent					Assay Description His/Flag epitope tagged CECR2424-538 was cloned, expressed, and purified to homogeneity. CECR2 binding and inhibition was assessed by monitoring the ...				US Patent US10150767 (2018) BindingDB Entry DOI: 10.7270/Q2V98B5W
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 [424-538] (Homo sapiens (Human))	BDBM310904 (3-methoxy-N-[4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...) Show SMILES COCCC(=O)Nc1ccc(cc1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C18H19N3O3/c1-21-11-15(14-7-9-19-17(14)18(21)23)12-3-5-13(6-4-12)20-16(22)8-10-24-2/h3-7,9,11,19H,8,10H2,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc.; Constellation Pharmaceuticals Inc. US Patent					Assay Description His/Flag epitope tagged CECR2424-538 was cloned, expressed, and purified to homogeneity. CECR2 binding and inhibition was assessed by monitoring the ...				US Patent US10150767 (2018) BindingDB Entry DOI: 10.7270/Q2V98B5W
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 [424-538] (Homo sapiens (Human))	BDBM310908 (6-methyl-4-(4-(4-methyl-3-oxopiperazine-1-carbonyl...) Show SMILES CN1CCN(CC1=O)C(=O)c1ccc(cc1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C20H20N4O3/c1-22-9-10-24(12-17(22)25)19(26)14-5-3-13(4-6-14)16-11-23(2)20(27)18-15(16)7-8-21-18/h3-8,11,21H,9-10,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc.; Constellation Pharmaceuticals Inc. US Patent					Assay Description His/Flag epitope tagged CECR2424-538 was cloned, expressed, and purified to homogeneity. CECR2 binding and inhibition was assessed by monitoring the ...				US Patent US10150767 (2018) BindingDB Entry DOI: 10.7270/Q2V98B5W
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 [424-538] (Homo sapiens (Human))	BDBM310906 (N,N-dimethyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-11(5-7-12)14-10-20(3)17(22)15-13(14)8-9-18-15/h4-10,18H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc.; Constellation Pharmaceuticals Inc. US Patent					Assay Description His/Flag epitope tagged CECR2424-538 was cloned, expressed, and purified to homogeneity. CECR2 binding and inhibition was assessed by monitoring the ...				US Patent US10150767 (2018) BindingDB Entry DOI: 10.7270/Q2V98B5W
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 [424-538] (Homo sapiens (Human))	BDBM310907 (3-(6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,...) Show SMILES CCn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O Show InChI InChI=1S/C18H19N3O2/c1-4-21-11-15(14-8-9-19-16(14)18(21)23)12-6-5-7-13(10-12)17(22)20(2)3/h5-11,19H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc.; Constellation Pharmaceuticals Inc. US Patent					Assay Description His/Flag epitope tagged CECR2424-538 was cloned, expressed, and purified to homogeneity. CECR2 binding and inhibition was assessed by monitoring the ...				US Patent US10150767 (2018) BindingDB Entry DOI: 10.7270/Q2V98B5W
					More data for this Ligand-Target Pair