null

SMILES: COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21

InChI Key: InChIKey=VVRZMYLMDPVHTL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50092323   

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 [364-436] (Homo sapiens (Human))	BDBM50092323 (CHEMBL3581656 | US9675697, Cpd. No. 21) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C22H21N5O2/c1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22/h6-9,24H,1-5H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	<10	<-10.9	93	n/a	n/a	n/a	n/a	7.5	25
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The FAM labeled fluorescent probe (BRD-1F) was synthesized based on a known small-molecule BET bromodomain inhibitor. Kd values of BRD-1F to these th...				US Patent US9675697 (2017) BindingDB Entry DOI: 10.7270/Q2CC0XV6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 [326-398] (Homo sapiens (Human))	BDBM50092323 (CHEMBL3581656 | US9675697, Cpd. No. 21) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C22H21N5O2/c1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22/h6-9,24H,1-5H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	26	-10.3	n/a	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...				US Patent US9675697 (2017) BindingDB Entry DOI: 10.7270/Q2CC0XV6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 [51-123] (Homo sapiens (Human))	BDBM50092323 (CHEMBL3581656 | US9675697, Cpd. No. 21) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C22H21N5O2/c1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22/h6-9,24H,1-5H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	32	-10.2	n/a	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...				US Patent US9675697 (2017) BindingDB Entry DOI: 10.7270/Q2CC0XV6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM50092323 (CHEMBL3581656 | US9675697, Cpd. No. 21) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C22H21N5O2/c1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22/h6-9,24H,1-5H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	38	-10.1	310	n/a	n/a	n/a	n/a	7.5	25
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The FAM labeled fluorescent probe (BRD-1F) was synthesized based on a known small-molecule BET bromodomain inhibitor. Kd values of BRD-1F to these th...				US Patent US9675697 (2017) BindingDB Entry DOI: 10.7270/Q2CC0XV6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM50092323 (CHEMBL3581656 | US9675697, Cpd. No. 21) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C22H21N5O2/c1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22/h6-9,24H,1-5H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	48	-9.98	n/a	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...				US Patent US9675697 (2017) BindingDB Entry DOI: 10.7270/Q2CC0XV6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [364-436] (Homo sapiens (Human))	BDBM50092323 (CHEMBL3581656 | US9675697, Cpd. No. 21) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C22H21N5O2/c1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22/h6-9,24H,1-5H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	58	-9.87	n/a	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...				US Patent US9675697 (2017) BindingDB Entry DOI: 10.7270/Q2CC0XV6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50092323 (CHEMBL3581656 | US9675697, Cpd. No. 21) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C22H21N5O2/c1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22/h6-9,24H,1-5H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM50092323 (CHEMBL3581656 | US9675697, Cpd. No. 21) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C22H21N5O2/c1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22/h6-9,24H,1-5H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	99	-9.55	n/a	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...				US Patent US9675697 (2017) BindingDB Entry DOI: 10.7270/Q2CC0XV6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [364-436] (Homo sapiens (Human))	BDBM50092323 (CHEMBL3581656 | US9675697, Cpd. No. 21) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C22H21N5O2/c1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22/h6-9,24H,1-5H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	100	-9.54	n/a	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...				US Patent US9675697 (2017) BindingDB Entry DOI: 10.7270/Q2CC0XV6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50092323 (CHEMBL3581656 | US9675697, Cpd. No. 21) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C22H21N5O2/c1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22/h6-9,24H,1-5H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50092323 (CHEMBL3581656 | US9675697, Cpd. No. 21) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C22H21N5O2/c1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22/h6-9,24H,1-5H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50092323 (CHEMBL3581656 | US9675697, Cpd. No. 21) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C22H21N5O2/c1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22/h6-9,24H,1-5H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	276	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair