BDBM50399448 CHEMBL1230189

SMILES: CN1Cc2ccccc2NC1=O

InChI Key: InChIKey=GINUUQLRYXHAPB-UHFFFAOYSA-N

Data: 2 IC50  8 Kd

PDB links: 5 PDB IDs match 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 10 hits for monomerid = 50399448   

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
CREB-binding protein (Homo sapiens (Human))	BDBM50399448 (CHEMBL1230189) Show SMILES CN1Cc2ccccc2NC1=O Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	MMDB PDB PubMed	n/a	n/a	2.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CBP (unknown origin) by alphascreen assay				J Med Chem 59: 1271-98 (2016) BindingDB Entry DOI: 10.7270/Q2X92D6H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50399448 (CHEMBL1230189) Show SMILES CN1Cc2ccccc2NC1=O Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BRD4 isoform 1 by AlphaScreen assay				J Med Chem 55: 9831-7 (2012) Article DOI: 10.1021/jm3010515 BindingDB Entry DOI: 10.7270/Q20C4WXS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50399448 (CHEMBL1230189) Show SMILES CN1Cc2ccccc2NC1=O Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using 0.5% DMSO by SPR assay				ACS Med Chem Lett 7: 1213-1218 (2016) Article DOI: 10.1021/acsmedchemlett.6b00154 BindingDB Entry DOI: 10.7270/Q2VM4F7M
					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50399448 (CHEMBL1230189) Show SMILES CN1Cc2ccccc2NC1=O Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	n/a	5.03E+4	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21(DE3)-R3 using 0.5% DMSO by SPR assay				ACS Med Chem Lett 7: 1213-1218 (2016) Article DOI: 10.1021/acsmedchemlett.6b00154 BindingDB Entry DOI: 10.7270/Q2VM4F7M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50399448 (CHEMBL1230189) Show SMILES CN1Cc2ccccc2NC1=O Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	3.89E+4	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using 1% DMSO by SPR assay				ACS Med Chem Lett 7: 1213-1218 (2016) Article DOI: 10.1021/acsmedchemlett.6b00154 BindingDB Entry DOI: 10.7270/Q2VM4F7M
					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50399448 (CHEMBL1230189) Show SMILES CN1Cc2ccccc2NC1=O Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	n/a	3.10E+5	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21(DE3)-R3 using 3% DMSO by SPR assay				ACS Med Chem Lett 7: 1213-1218 (2016) Article DOI: 10.1021/acsmedchemlett.6b00154 BindingDB Entry DOI: 10.7270/Q2VM4F7M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50399448 (CHEMBL1230189) Show SMILES CN1Cc2ccccc2NC1=O Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using methanol by SPR assay				ACS Med Chem Lett 7: 1213-1218 (2016) Article DOI: 10.1021/acsmedchemlett.6b00154 BindingDB Entry DOI: 10.7270/Q2VM4F7M
					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50399448 (CHEMBL1230189) Show SMILES CN1Cc2ccccc2NC1=O Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21(DE3)-R3 using 1% DMSO by SPR assay				ACS Med Chem Lett 7: 1213-1218 (2016) Article DOI: 10.1021/acsmedchemlett.6b00154 BindingDB Entry DOI: 10.7270/Q2VM4F7M
					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50399448 (CHEMBL1230189) Show SMILES CN1Cc2ccccc2NC1=O Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	n/a	3.77E+4	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21(DE3)-R3 using methanol by SPR assay				ACS Med Chem Lett 7: 1213-1218 (2016) Article DOI: 10.1021/acsmedchemlett.6b00154 BindingDB Entry DOI: 10.7270/Q2VM4F7M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50399448 (CHEMBL1230189) Show SMILES CN1Cc2ccccc2NC1=O Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using 3% DMSO by SPR assay				ACS Med Chem Lett 7: 1213-1218 (2016) Article DOI: 10.1021/acsmedchemlett.6b00154 BindingDB Entry DOI: 10.7270/Q2VM4F7M
					More data for this Ligand-Target Pair				3D Structure (crystal)