BDBM313806 US10167292, Example 50

SMILES: Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(O)C(F)(F)F

InChI Key: InChIKey=IENHPOBVKKOOQK-UHFFFAOYSA-N

Data: 8 IC50

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 8 hits for monomerid = 313806   

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 2 [91-163] (Homo sapiens (Human))	BDBM313806 (US10167292, Example 50) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(O)C(F)(F)F Show InChI InChI=1S/C19H16ClF3N4O/c1-11-17-15-7-2-12(18(28)19(21,22)23)10-16(15)26(8-9-27(17)25-24-11)14-5-3-13(20)4-6-14/h2-7,10,18,28H,8-9H2,1H3	GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [364-436] (Homo sapiens (Human))	BDBM313806 (US10167292, Example 50) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(O)C(F)(F)F Show InChI InChI=1S/C19H16ClF3N4O/c1-11-17-15-7-2-12(18(28)19(21,22)23)10-16(15)26(8-9-27(17)25-24-11)14-5-3-13(20)4-6-14/h2-7,10,18,28H,8-9H2,1H3	GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM313806 (US10167292, Example 50) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(O)C(F)(F)F Show InChI InChI=1S/C19H16ClF3N4O/c1-11-17-15-7-2-12(18(28)19(21,22)23)10-16(15)26(8-9-27(17)25-24-11)14-5-3-13(20)4-6-14/h2-7,10,18,28H,8-9H2,1H3	GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM313806 (US10167292, Example 50) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(O)C(F)(F)F Show InChI InChI=1S/C19H16ClF3N4O/c1-11-17-15-7-2-12(18(28)19(21,22)23)10-16(15)26(8-9-27(17)25-24-11)14-5-3-13(20)4-6-14/h2-7,10,18,28H,8-9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...				ACS Med Chem Lett 8: 1298-1303 (2017) Article DOI: 10.1021/acsmedchemlett.7b00389 BindingDB Entry DOI: 10.7270/Q2JQ13K2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM313806 (US10167292, Example 50) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(O)C(F)(F)F Show InChI InChI=1S/C19H16ClF3N4O/c1-11-17-15-7-2-12(18(28)19(21,22)23)10-16(15)26(8-9-27(17)25-24-11)14-5-3-13(20)4-6-14/h2-7,10,18,28H,8-9H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Inhibition of human His-tagged Brd2 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...				ACS Med Chem Lett 8: 1298-1303 (2017) Article DOI: 10.1021/acsmedchemlett.7b00389 BindingDB Entry DOI: 10.7270/Q2JQ13K2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM313806 (US10167292, Example 50) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(O)C(F)(F)F Show InChI InChI=1S/C19H16ClF3N4O/c1-11-17-15-7-2-12(18(28)19(21,22)23)10-16(15)26(8-9-27(17)25-24-11)14-5-3-13(20)4-6-14/h2-7,10,18,28H,8-9H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Inhibition of human His-tagged Brd2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...				ACS Med Chem Lett 8: 1298-1303 (2017) Article DOI: 10.1021/acsmedchemlett.7b00389 BindingDB Entry DOI: 10.7270/Q2JQ13K2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM313806 (US10167292, Example 50) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(O)C(F)(F)F Show InChI InChI=1S/C19H16ClF3N4O/c1-11-17-15-7-2-12(18(28)19(21,22)23)10-16(15)26(8-9-27(17)25-24-11)14-5-3-13(20)4-6-14/h2-7,10,18,28H,8-9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Inhibition of human His-tagged Brd4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...				ACS Med Chem Lett 8: 1298-1303 (2017) Article DOI: 10.1021/acsmedchemlett.7b00389 BindingDB Entry DOI: 10.7270/Q2JQ13K2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM313806 (US10167292, Example 50) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(O)C(F)(F)F Show InChI InChI=1S/C19H16ClF3N4O/c1-11-17-15-7-2-12(18(28)19(21,22)23)10-16(15)26(8-9-27(17)25-24-11)14-5-3-13(20)4-6-14/h2-7,10,18,28H,8-9H2,1H3	GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair