Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [44-166]'   

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 [44-166] (Homo sapiens (Human))	BDBM227644 (Histone H4 (1-25) | MSGRGKGGKGLGKGGAKRHRKVLRD) Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.80E+3	n/a	n/a	n/a	7.5	4
Bayer HealthCare					Assay Description The experiments were performed in 384-well black small volume microtiter plates(Greiner) in a buffer composed of 50mM Hepes, pH 7.5 (Applichem), 50 m...				J Biol Chem 289: 9304-19 (2014) Article DOI: 10.1074/jbc.M113.523019 BindingDB Entry DOI: 10.7270/Q2VQ31JB
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-166] (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	106	n/a	n/a	n/a	7.5	4
Bayer HealthCare					Assay Description The experiments were performed in 384-well black small volume microtiter plates(Greiner) in a buffer composed of 50mM Hepes, pH 7.5 (Applichem), 50 m...				J Biol Chem 289: 9304-19 (2014) Article DOI: 10.1074/jbc.M113.523019 BindingDB Entry DOI: 10.7270/Q2VQ31JB
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-166] (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	7.5	n/a
Bayer HealthCare					Assay Description In a typical TSA, 0.4 μg of BRD4 BD1 protein were mixed with 5× Sypro Orange (Molecular Probe) and adjusted to a final volume of 5 μl with ...				J Biol Chem 289: 9304-19 (2014) Article DOI: 10.1074/jbc.M113.523019 BindingDB Entry DOI: 10.7270/Q2VQ31JB
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-166] (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	14.5	n/a	n/a	n/a	7.5	25
Bayer HealthCare					Assay Description For KD determinations, 10 nM JQ1-TAMRA probe was incubated in 384-well smallvolume black microtiter plates with serial (1:2) dilutions of each BRD4 v...				J Biol Chem 289: 9304-19 (2014) Article DOI: 10.1074/jbc.M113.523019 BindingDB Entry DOI: 10.7270/Q2VQ31JB
					More data for this Ligand-Target Pair