BDBM50503387 CHEMBL4475135

SMILES: Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1

InChI Key: InChIKey=KNBRONAEQNUZRY-UHFFFAOYSA-N

Data: 7 IC50  1 Kd

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 = 50503387   

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))	BDBM50503387 (CHEMBL4475135) Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H26FN7/c1-16-13-17(2)15-20(14-16)29-25-28-12-9-22(30-25)24-23(18-3-5-19(26)6-4-18)31-32-33(24)21-7-10-27-11-8-21/h3-6,9,12-15,21,27H,7-8,10-11H2,1-2H3,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BRD4 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay				J Med Chem 61: 9316-9334 (2018) Article DOI: 10.1021/acs.jmedchem.8b01248
					More data for this Ligand-Target Pair
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50503387 (CHEMBL4475135) Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H26FN7/c1-16-13-17(2)15-20(14-16)29-25-28-12-9-22(30-25)24-23(18-3-5-19(26)6-4-18)31-32-33(24)21-7-10-27-11-8-21/h3-6,9,12-15,21,27H,7-8,10-11H2,1-2H3,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BRD2 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay				J Med Chem 61: 9316-9334 (2018) Article DOI: 10.1021/acs.jmedchem.8b01248
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50503387 (CHEMBL4475135) Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H26FN7/c1-16-13-17(2)15-20(14-16)29-25-28-12-9-22(30-25)24-23(18-3-5-19(26)6-4-18)31-32-33(24)21-7-10-27-11-8-21/h3-6,9,12-15,21,27H,7-8,10-11H2,1-2H3,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BRD4 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay				J Med Chem 61: 9316-9334 (2018) Article DOI: 10.1021/acs.jmedchem.8b01248
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50503387 (CHEMBL4475135) Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H26FN7/c1-16-13-17(2)15-20(14-16)29-25-28-12-9-22(30-25)24-23(18-3-5-19(26)6-4-18)31-32-33(24)21-7-10-27-11-8-21/h3-6,9,12-15,21,27H,7-8,10-11H2,1-2H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Binding affinity to wild-type human full length p38-alpha (M1 to S360 residues) expressed in bacterial expression system by Kinomescan method				ACS Med Chem Lett 10: 1296-1301 (2019) Article DOI: 10.1021/acsmedchemlett.9b00227
					More data for this Ligand-Target Pair
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50503387 (CHEMBL4475135) Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H26FN7/c1-16-13-17(2)15-20(14-16)29-25-28-12-9-22(30-25)24-23(18-3-5-19(26)6-4-18)31-32-33(24)21-7-10-27-11-8-21/h3-6,9,12-15,21,27H,7-8,10-11H2,1-2H3,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BRD3 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay				J Med Chem 61: 9316-9334 (2018) Article DOI: 10.1021/acs.jmedchem.8b01248
					More data for this Ligand-Target Pair
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50503387 (CHEMBL4475135) Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H26FN7/c1-16-13-17(2)15-20(14-16)29-25-28-12-9-22(30-25)24-23(18-3-5-19(26)6-4-18)31-32-33(24)21-7-10-27-11-8-21/h3-6,9,12-15,21,27H,7-8,10-11H2,1-2H3,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BRD2 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay				J Med Chem 61: 9316-9334 (2018) Article DOI: 10.1021/acs.jmedchem.8b01248
					More data for this Ligand-Target Pair
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50503387 (CHEMBL4475135) Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H26FN7/c1-16-13-17(2)15-20(14-16)29-25-28-12-9-22(30-25)24-23(18-3-5-19(26)6-4-18)31-32-33(24)21-7-10-27-11-8-21/h3-6,9,12-15,21,27H,7-8,10-11H2,1-2H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BRDT N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay				J Med Chem 61: 9316-9334 (2018) Article DOI: 10.1021/acs.jmedchem.8b01248
					More data for this Ligand-Target Pair
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50503387 (CHEMBL4475135) Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H26FN7/c1-16-13-17(2)15-20(14-16)29-25-28-12-9-22(30-25)24-23(18-3-5-19(26)6-4-18)31-32-33(24)21-7-10-27-11-8-21/h3-6,9,12-15,21,27H,7-8,10-11H2,1-2H3,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BRD3 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay				J Med Chem 61: 9316-9334 (2018) Article DOI: 10.1021/acs.jmedchem.8b01248
					More data for this Ligand-Target Pair