BDBM50098301 CHEMBL3590383

SMILES: Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12

InChI Key: InChIKey=FMHQDBFMJHNCPF-ROMGYVFFSA-N

Data: 14 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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 16 hits for monomerid = 50098301   

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
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assay				J Med Chem 58: 6151-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis				J Med Chem 58: 6151-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis				J Med Chem 58: 6151-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to BRD2 containing BD1 bromodomains (unknown origin) by TR-FRET assay				J Med Chem 58: 6151-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to BRD3 containing BD1 bromodomains (unknown origin) by TR-FRET assay				J Med Chem 58: 6151-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to BRD4 containing BD1 bromodomains (unknown origin) by TR-FRET assay				J Med Chem 58: 6151-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to BRDt containing BD1 bromodomains (unknown origin) by TR-FRET assay				J Med Chem 58: 6151-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to ATAD2(unknown origin) by peptide FRET assay				J Med Chem 58: 6151-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to BRD2 containing BD2 bromodomains (unknown origin) by TR-FRET assay				J Med Chem 58: 6151-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to BRD3 containing BD2 bromodomains (unknown origin) by TR-FRET assay				J Med Chem 58: 6151-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to BRD4 containing BD2 bromodomains (unknown origin) by TR-FRET assay				J Med Chem 58: 6151-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to BRDt containing BD2 bromodomains (unknown origin) by TR-FRET assay				J Med Chem 58: 6151-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis				J Med Chem 58: 6151-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...				J Med Chem 58: 6151-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1
					More data for this Ligand-Target Pair