BDBM50260084 CHEMBL4096313::US9957263, Example 110

SMILES: Cn1cc(-c2cc(ccc2N[C@H]2CC[C@@H](CC2)NCc2ccc3ccccc3c2)S(C)(=O)=O)c2cc[nH]c2c1=O

InChI Key: InChIKey=SSNUDWPSNDXYFX-SOAUALDESA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50260084   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50260084 (CHEMBL4096313 | US9957263, Example 110) Show SMILES Cn1cc(-c2cc(ccc2N[C@H]2CC[C@@H](CC2)NCc2ccc3ccccc3c2)S(C)(=O)=O)c2cc[nH]c2c1=O |r,wU:11.11,wD:14.18,(58.54,-.63,;59.88,-1.39,;59.89,-2.94,;61.23,-3.69,;61.24,-5.24,;62.58,-5.99,;62.59,-7.54,;61.25,-8.32,;59.92,-7.55,;59.92,-6.02,;58.58,-5.25,;57.25,-6.03,;57.26,-7.56,;55.92,-8.34,;54.58,-7.57,;54.58,-6.03,;55.91,-5.26,;53.25,-8.34,;51.91,-7.57,;50.58,-8.34,;50.58,-9.87,;49.25,-10.64,;47.91,-9.87,;46.58,-10.64,;45.25,-9.88,;45.25,-8.33,;46.58,-7.56,;47.91,-8.33,;49.24,-7.56,;63.93,-8.31,;63.93,-9.85,;64.69,-6.97,;65.47,-8.3,;62.55,-2.91,;64.01,-3.38,;64.9,-2.14,;64,-.9,;62.55,-1.38,;61.21,-.61,;61.2,.94,)| Show InChI InChI=1S/C32H34N4O3S/c1-36-20-29(27-15-16-33-31(27)32(36)37)28-18-26(40(2,38)39)13-14-30(28)35-25-11-9-24(10-12-25)34-19-21-7-8-22-5-3-4-6-23(22)17-21/h3-8,13-18,20,24-25,33-35H,9-12,19H2,1-2H3/t24-,25-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260084 (CHEMBL4096313 | US9957263, Example 110) Show SMILES Cn1cc(-c2cc(ccc2N[C@H]2CC[C@@H](CC2)NCc2ccc3ccccc3c2)S(C)(=O)=O)c2cc[nH]c2c1=O |r,wU:11.11,wD:14.18,(58.54,-.63,;59.88,-1.39,;59.89,-2.94,;61.23,-3.69,;61.24,-5.24,;62.58,-5.99,;62.59,-7.54,;61.25,-8.32,;59.92,-7.55,;59.92,-6.02,;58.58,-5.25,;57.25,-6.03,;57.26,-7.56,;55.92,-8.34,;54.58,-7.57,;54.58,-6.03,;55.91,-5.26,;53.25,-8.34,;51.91,-7.57,;50.58,-8.34,;50.58,-9.87,;49.25,-10.64,;47.91,-9.87,;46.58,-10.64,;45.25,-9.88,;45.25,-8.33,;46.58,-7.56,;47.91,-8.33,;49.24,-7.56,;63.93,-8.31,;63.93,-9.85,;64.69,-6.97,;65.47,-8.3,;62.55,-2.91,;64.01,-3.38,;64.9,-2.14,;64,-.9,;62.55,-1.38,;61.21,-.61,;61.2,.94,)| Show InChI InChI=1S/C32H34N4O3S/c1-36-20-29(27-15-16-33-31(27)32(36)37)28-18-26(40(2,38)39)13-14-30(28)35-25-11-9-24(10-12-25)34-19-21-7-8-22-5-3-4-6-23(22)17-21/h3-8,13-18,20,24-25,33-35H,9-12,19H2,1-2H3/t24-,25-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 1 (K57 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260084 (CHEMBL4096313 | US9957263, Example 110) Show SMILES Cn1cc(-c2cc(ccc2N[C@H]2CC[C@@H](CC2)NCc2ccc3ccccc3c2)S(C)(=O)=O)c2cc[nH]c2c1=O |r,wU:11.11,wD:14.18,(58.54,-.63,;59.88,-1.39,;59.89,-2.94,;61.23,-3.69,;61.24,-5.24,;62.58,-5.99,;62.59,-7.54,;61.25,-8.32,;59.92,-7.55,;59.92,-6.02,;58.58,-5.25,;57.25,-6.03,;57.26,-7.56,;55.92,-8.34,;54.58,-7.57,;54.58,-6.03,;55.91,-5.26,;53.25,-8.34,;51.91,-7.57,;50.58,-8.34,;50.58,-9.87,;49.25,-10.64,;47.91,-9.87,;46.58,-10.64,;45.25,-9.88,;45.25,-8.33,;46.58,-7.56,;47.91,-8.33,;49.24,-7.56,;63.93,-8.31,;63.93,-9.85,;64.69,-6.97,;65.47,-8.3,;62.55,-2.91,;64.01,-3.38,;64.9,-2.14,;64,-.9,;62.55,-1.38,;61.21,-.61,;61.2,.94,)| Show InChI InChI=1S/C32H34N4O3S/c1-36-20-29(27-15-16-33-31(27)32(36)37)28-18-26(40(2,38)39)13-14-30(28)35-25-11-9-24(10-12-25)34-19-21-7-8-22-5-3-4-6-23(22)17-21/h3-8,13-18,20,24-25,33-35H,9-12,19H2,1-2H3/t24-,25-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 2 (E352 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260084 (CHEMBL4096313 | US9957263, Example 110) Show SMILES Cn1cc(-c2cc(ccc2N[C@H]2CC[C@@H](CC2)NCc2ccc3ccccc3c2)S(C)(=O)=O)c2cc[nH]c2c1=O |r,wU:11.11,wD:14.18,(58.54,-.63,;59.88,-1.39,;59.89,-2.94,;61.23,-3.69,;61.24,-5.24,;62.58,-5.99,;62.59,-7.54,;61.25,-8.32,;59.92,-7.55,;59.92,-6.02,;58.58,-5.25,;57.25,-6.03,;57.26,-7.56,;55.92,-8.34,;54.58,-7.57,;54.58,-6.03,;55.91,-5.26,;53.25,-8.34,;51.91,-7.57,;50.58,-8.34,;50.58,-9.87,;49.25,-10.64,;47.91,-9.87,;46.58,-10.64,;45.25,-9.88,;45.25,-8.33,;46.58,-7.56,;47.91,-8.33,;49.24,-7.56,;63.93,-8.31,;63.93,-9.85,;64.69,-6.97,;65.47,-8.3,;62.55,-2.91,;64.01,-3.38,;64.9,-2.14,;64,-.9,;62.55,-1.38,;61.21,-.61,;61.2,.94,)| Show InChI InChI=1S/C32H34N4O3S/c1-36-20-29(27-15-16-33-31(27)32(36)37)28-18-26(40(2,38)39)13-14-30(28)35-25-11-9-24(10-12-25)34-19-21-7-8-22-5-3-4-6-23(22)17-21/h3-8,13-18,20,24-25,33-35H,9-12,19H2,1-2H3/t24-,25-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair