BindingDB PrimarySearch

null

SMILES: Cn1c2ccccc2ccc1=O

InChI Key: InChIKey=QYEMNJMSULGQRD-UHFFFAOYSA-N

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50157646
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50157646 (CHEMBL216146) Show SMILES Cn1c2ccccc2ccc1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay				ACS Med Chem Lett 9: 947-951 (2018) Article DOI: 10.1021/acsmedchemlett.8b00362 BindingDB Entry DOI: 10.7270/Q2S18540
University of Florence Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50157646 (CHEMBL216146) Show SMILES Cn1c2ccccc2ccc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay				ACS Med Chem Lett 9: 947-951 (2018) Article DOI: 10.1021/acsmedchemlett.8b00362 BindingDB Entry DOI: 10.7270/Q2S18540
University of Florence Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50157646 (CHEMBL216146) Show SMILES Cn1c2ccccc2ccc1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay				ACS Med Chem Lett 9: 947-951 (2018) Article DOI: 10.1021/acsmedchemlett.8b00362 BindingDB Entry DOI: 10.7270/Q2S18540
University of Florence Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50157646 (CHEMBL216146) Show SMILES Cn1c2ccccc2ccc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay				ACS Med Chem Lett 9: 947-951 (2018) Article DOI: 10.1021/acsmedchemlett.8b00362 BindingDB Entry DOI: 10.7270/Q2S18540
University of Florence Curated by ChEMBL					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50157646 (CHEMBL216146) Show SMILES Cn1c2ccccc2ccc1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human PCAF expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay				J Med Chem 60: 668-680 (2017) Article DOI: 10.1021/acs.jmedchem.6b01583 BindingDB Entry DOI: 10.7270/Q29K4DQ5
University College London Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50157646 (CHEMBL216146) Show SMILES Cn1c2ccccc2ccc1=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay				J Med Chem 60: 668-680 (2017) Article DOI: 10.1021/acs.jmedchem.6b01583 BindingDB Entry DOI: 10.7270/Q29K4DQ5
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50157646 (CHEMBL216146) Show SMILES Cn1c2ccccc2ccc1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay				J Med Chem 60: 668-680 (2017) Article DOI: 10.1021/acs.jmedchem.6b01583 BindingDB Entry DOI: 10.7270/Q29K4DQ5
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50157646 (CHEMBL216146) Show SMILES Cn1c2ccccc2ccc1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human ATAD2A expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay				J Med Chem 60: 668-680 (2017) Article DOI: 10.1021/acs.jmedchem.6b01583 BindingDB Entry DOI: 10.7270/Q29K4DQ5
University College London Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50157646 (CHEMBL216146) Show SMILES Cn1c2ccccc2ccc1=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to BRD9 (unknown origin) by isothermal titration calorimetric analysis				J Med Chem 59: 1271-98 (2016) BindingDB Entry DOI: 10.7270/Q2X92D6H
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50157646 (CHEMBL216146) Show SMILES Cn1c2ccccc2ccc1=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay				J Med Chem 60: 668-680 (2017) Article DOI: 10.1021/acs.jmedchem.6b01583 BindingDB Entry DOI: 10.7270/Q29K4DQ5
University College London Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)