Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'kalabathula' and Initial = 'j'   

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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50148605 (CHEMBL3769729) Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)OC |r,t:2| Show InChI InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 min...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00958 BindingDB Entry DOI: 10.7270/Q23N278B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 min...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00958 BindingDB Entry DOI: 10.7270/Q23N278B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by comp...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00958 BindingDB Entry DOI: 10.7270/Q23N278B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50580092 (CHEMBL5077273) Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCCCCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 min...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00958 BindingDB Entry DOI: 10.7270/Q23N278B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50580091 (CHEMBL5071672) Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	525	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 min...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00958 BindingDB Entry DOI: 10.7270/Q23N278B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50148605 (CHEMBL3769729) Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)OC |r,t:2| Show InChI InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	863	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by comp...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00958 BindingDB Entry DOI: 10.7270/Q23N278B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50580090 (CHEMBL5087849) Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 min...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00958 BindingDB Entry DOI: 10.7270/Q23N278B
					More data for this Ligand-Target Pair
Protein cereblon (Homo sapiens (Human))	BDBM50570884 (CHEMBL4860669) Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(cc1)-c1ccccc1)C(=O)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 Show InChI	PDB UniProtKB/SwissProt 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
TBA					Assay Description Binding affinity to Cereblon in human Flp293T cells transfected with BRD4(BD2)-GFP fusion protein and mCherry reporter assessed as inhibition of dBET...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113435 BindingDB Entry DOI: 10.7270/Q2QV3R91
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50580091 (CHEMBL5071672) Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by comp...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00958 BindingDB Entry DOI: 10.7270/Q23N278B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50580094 (CHEMBL5082294) Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCOCCOCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 min...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00958 BindingDB Entry DOI: 10.7270/Q23N278B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50580092 (CHEMBL5077273) Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCCCCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by comp...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00958 BindingDB Entry DOI: 10.7270/Q23N278B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50580089 (CHEMBL5077481) Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCC |r,t:2| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 min...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00958 BindingDB Entry DOI: 10.7270/Q23N278B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50580094 (CHEMBL5082294) Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCOCCOCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by comp...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00958 BindingDB Entry DOI: 10.7270/Q23N278B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50580093 (CHEMBL5088121) Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCOCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 min...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00958 BindingDB Entry DOI: 10.7270/Q23N278B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50580090 (CHEMBL5087849) Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by comp...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00958 BindingDB Entry DOI: 10.7270/Q23N278B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50580089 (CHEMBL5077481) Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCC |r,t:2| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by comp...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00958 BindingDB Entry DOI: 10.7270/Q23N278B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50580093 (CHEMBL5088121) Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCOCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by comp...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00958 BindingDB Entry DOI: 10.7270/Q23N278B
					More data for this Ligand-Target Pair
Protein cereblon (Homo sapiens (Human))	BDBM50570885 (CHEMBL4855690) Show SMILES [O-][N+](=O)c1ccccc1\C(=N\Nc1nc(cs1)-c1ccc(cc1)-c1ccccc1)C(=O)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Cereblon in human Flp293T cells transfected with BRD4(BD2)-GFP fusion protein and mCherry reporter assessed as inhibition of dBET...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113435 BindingDB Entry DOI: 10.7270/Q2QV3R91
					More data for this Ligand-Target Pair
Protein cereblon (Homo sapiens (Human))	BDBM50570886 (CHEMBL4869528) Show SMILES C\C(=N/Nc1nc(c(CC(=O)NCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)s1)-c1ccc(Cl)c(Cl)c1)C(=O)OCOC(=O)C(C)(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Cereblon in human Flp293T cells transfected with BRD4(BD2)-GFP fusion protein and mCherry reporter assessed as inhibition of dBET...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113435 BindingDB Entry DOI: 10.7270/Q2QV3R91
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM50570883 (CHEMBL4848695) Show SMILES OC(=O)C(Cc1ccccc1[N+]([O-])=O)=NNc1nc(cs1)-c1ccc(Cl)c(Cl)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of KKQYDREFLLDFQFK-FITCH from recombinant GST-tagged human eIF4E expressed in Escherichia coli BL21 (DE3) cells by fluorescence polariza...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113435 BindingDB Entry DOI: 10.7270/Q2QV3R91
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM50570882 (CHEMBL3310358) Show SMILES OC(=O)C(\Cc1ccccc1[N+]([O-])=O)=N/Nc1nc(cs1)-c1ccc(cc1)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of KKQYDREFLLDFQFK-FITCH from recombinant GST-tagged human eIF4E expressed in Escherichia coli BL21 (DE3) cells by fluorescence polariza...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113435 BindingDB Entry DOI: 10.7270/Q2QV3R91
					More data for this Ligand-Target Pair