Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50010759   

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
Protein cereblon (Homo sapiens (Human))	BDBM50541818 (CHEMBL4648907 | US11530219, Compound 16) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nccc(NCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)n1 Show InChI InChI=1S/C30H29F3N8O4/c31-30(32,33)18-3-1-4-19(15-18)39-11-13-40(14-12-39)29-34-10-9-24(37-29)35-16-26(43)36-22-6-2-5-20-21(22)17-41(28(20)45)23-7-8-25(42)38-27(23)44/h1-6,9-10,15,23H,7-8,11-14,16-17H2,(H,36,43)(H,34,35,37)(H,38,42,44)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Binding affinity to CBRN (unknown origin) incubated for 60 mins by lenalidomide displacement assay				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair
Protein cereblon (Homo sapiens (Human))	BDBM50541817 (CHEMBL4635421 | US11530219, Compound 14) Show SMILES OC[C@H]1CCCN1c1nccc(NCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)n1 |r| Show InChI InChI=1S/C24H27N7O5/c32-13-14-3-2-10-30(14)24-25-9-8-19(28-24)26-11-21(34)27-17-5-1-4-15-16(17)12-31(23(15)36)18-6-7-20(33)29-22(18)35/h1,4-5,8-9,14,18,32H,2-3,6-7,10-13H2,(H,27,34)(H,25,26,28)(H,29,33,35)/t14-,18?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Binding affinity to CBRN (unknown origin) incubated for 60 mins by lenalidomide displacement assay				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair
Protein cereblon (Homo sapiens (Human))	BDBM50541820 (CHEMBL4648134) Show SMILES Nc1ccc(C(=O)NC2CCC(=O)NC2=O)c2ncccc12 Show InChI InChI=1S/C15H14N4O3/c16-10-4-3-9(13-8(10)2-1-7-17-13)14(21)18-11-5-6-12(20)19-15(11)22/h1-4,7,11H,5-6,16H2,(H,18,21)(H,19,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Binding affinity to CBRN (unknown origin) incubated for 60 mins by lenalidomide displacement assay				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair
Protein cereblon (Homo sapiens (Human))	BDBM50541819 (CHEMBL4645406 | US11530219, Compound 17) Show SMILES CN(c1ccccc1)c1nccc(NCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)n1 Show InChI InChI=1S/C26H25N7O4/c1-32(16-6-3-2-4-7-16)26-27-13-12-21(30-26)28-14-23(35)29-19-9-5-8-17-18(19)15-33(25(17)37)20-10-11-22(34)31-24(20)36/h2-9,12-13,20H,10-11,14-15H2,1H3,(H,29,35)(H,27,28,30)(H,31,34,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Binding affinity to CBRN (unknown origin) incubated for 60 mins by lenalidomide displacement assay				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair
Protein cereblon (Homo sapiens (Human))	BDBM65454 (191732-72-6 | CC-5013 | Lenalidomide | Revimid | R...) Show SMILES Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O Show InChI InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Binding affinity to CBRN (unknown origin) incubated for 60 mins by lenalidomide displacement assay				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein cereblon (Homo sapiens (Human))	BDBM50541821 (CHEMBL4639892) Show SMILES Nc1ccnc2c(cccc12)C(=O)NC1CCC(=O)NC1=O Show InChI InChI=1S/C15H14N4O3/c16-10-6-7-17-13-8(10)2-1-3-9(13)14(21)18-11-4-5-12(20)19-15(11)22/h1-3,6-7,11H,4-5H2,(H2,16,17)(H,18,21)(H,19,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Binding affinity to CBRN (unknown origin) incubated for 60 mins by lenalidomide displacement assay				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50541818 (CHEMBL4648907 | US11530219, Compound 16) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nccc(NCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)n1 Show InChI InChI=1S/C30H29F3N8O4/c31-30(32,33)18-3-1-4-19(15-18)39-11-13-40(14-12-39)29-34-10-9-24(37-29)35-16-26(43)36-22-6-2-5-20-21(22)17-41(28(20)45)23-7-8-25(42)38-27(23)44/h1-6,9-10,15,23H,7-8,11-14,16-17H2,(H,36,43)(H,34,35,37)(H,38,42,44)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	517	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain 2 (unknown origin) in HEK293 cells cotransfected with eGFP by flow cytometry based mCherry reporter gene analysis				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50541817 (CHEMBL4635421 | US11530219, Compound 14) Show SMILES OC[C@H]1CCCN1c1nccc(NCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)n1 |r| Show InChI InChI=1S/C24H27N7O5/c32-13-14-3-2-10-30(14)24-25-9-8-19(28-24)26-11-21(34)27-17-5-1-4-15-16(17)12-31(23(15)36)18-6-7-20(33)29-22(18)35/h1,4-5,8-9,14,18,32H,2-3,6-7,10-13H2,(H,27,34)(H,25,26,28)(H,29,33,35)/t14-,18?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain 2 (unknown origin) in HEK293 cells cotransfected with eGFP by flow cytometry based mCherry reporter gene analysis				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50541820 (CHEMBL4648134) Show SMILES Nc1ccc(C(=O)NC2CCC(=O)NC2=O)c2ncccc12 Show InChI InChI=1S/C15H14N4O3/c16-10-4-3-9(13-8(10)2-1-7-17-13)14(21)18-11-5-6-12(20)19-15(11)22/h1-4,7,11H,5-6,16H2,(H,18,21)(H,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain 2 (unknown origin) in HEK293 cells cotransfected with eGFP by flow cytometry based mCherry reporter gene analysis				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50541819 (CHEMBL4645406 | US11530219, Compound 17) Show SMILES CN(c1ccccc1)c1nccc(NCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)n1 Show InChI InChI=1S/C26H25N7O4/c1-32(16-6-3-2-4-7-16)26-27-13-12-21(30-26)28-14-23(35)29-19-9-5-8-17-18(19)15-33(25(17)37)20-10-11-22(34)31-24(20)36/h2-9,12-13,20H,10-11,14-15H2,1H3,(H,29,35)(H,27,28,30)(H,31,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain 2 (unknown origin) in HEK293 cells cotransfected with eGFP by flow cytometry based mCherry reporter gene analysis				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM65454 (191732-72-6 | CC-5013 | Lenalidomide | Revimid | R...) Show SMILES Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O Show InChI InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain 2 (unknown origin) in HEK293 cells cotransfected with eGFP by flow cytometry based mCherry reporter gene analysis				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50541821 (CHEMBL4639892) Show SMILES Nc1ccnc2c(cccc12)C(=O)NC1CCC(=O)NC1=O Show InChI InChI=1S/C15H14N4O3/c16-10-6-7-17-13-8(10)2-1-3-9(13)14(21)18-11-4-5-12(20)19-15(11)22/h1-3,6-7,11H,4-5H2,(H2,16,17)(H,18,21)(H,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain 2 (unknown origin) in HEK293 cells cotransfected with eGFP by flow cytometry based mCherry reporter gene analysis				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair