BindingDB PrimarySearch

BDBM50017811 CHEMBL467::HU::HYDROXYUREA::US10155732, Compound HU::hydroxyurea

SMILES: NC(=O)NO

InChI Key: InChIKey=VSNHCAURESNICA-UHFFFAOYSA-N

Data: 4 KI 6 IC50 1 Kd

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50017811
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))	BDBM50017811 (CHEMBL467 \| HU \| HYDROXYUREA \| US10155732, Compoun...) Show SMILES NC(=O)NO Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9				Bioorg Med Chem Lett 16: 4316-20 (2006) Article DOI: 10.1016/j.bmcl.2006.05.068 BindingDB Entry DOI: 10.7270/Q2HX1C9J
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50017811 (CHEMBL467 \| HU \| HYDROXYUREA \| US10155732, Compoun...) Show SMILES NC(=O)NO Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2				Bioorg Med Chem Lett 16: 4316-20 (2006) Article DOI: 10.1016/j.bmcl.2006.05.068 BindingDB Entry DOI: 10.7270/Q2HX1C9J
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50017811 (CHEMBL467 \| HU \| HYDROXYUREA \| US10155732, Compoun...) Show SMILES NC(=O)NO Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA5a				Bioorg Med Chem Lett 16: 4316-20 (2006) Article DOI: 10.1016/j.bmcl.2006.05.068 BindingDB Entry DOI: 10.7270/Q2HX1C9J
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50017811 (CHEMBL467 \| HU \| HYDROXYUREA \| US10155732, Compoun...) Show SMILES NC(=O)NO Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.13E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA4				Bioorg Med Chem Lett 16: 4316-20 (2006) Article DOI: 10.1016/j.bmcl.2006.05.068 BindingDB Entry DOI: 10.7270/Q2HX1C9J
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM50017811 (CHEMBL467 \| HU \| HYDROXYUREA \| US10155732, Compoun...) Show SMILES NC(=O)NO Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM50017811 (CHEMBL467 \| HU \| HYDROXYUREA \| US10155732, Compoun...) Show SMILES NC(=O)NO Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM50017811 (CHEMBL467 \| HU \| HYDROXYUREA \| US10155732, Compoun...) Show SMILES NC(=O)NO Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50017811 (CHEMBL467 \| HU \| HYDROXYUREA \| US10155732, Compoun...) Show SMILES NC(=O)NO Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit (Homo sapiens (Human))	BDBM50017811 (CHEMBL467 \| HU \| HYDROXYUREA \| US10155732, Compoun...) Show SMILES NC(=O)NO Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	n/a	n/a	9.97E+5	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Inhibition of human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) using 14C-ADP as substrate by liquid scintillation c...				J Med Chem 58: 9498-509 (2015) Article DOI: 10.1021/acs.jmedchem.5b00929 BindingDB Entry DOI: 10.7270/Q2MW2M5M
Case Western Reserve University Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50017811 (CHEMBL467 \| HU \| HYDROXYUREA \| US10155732, Compoun...) Show SMILES NC(=O)NO Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	n/a	>2.50E+7	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding to stromelysin (MMP-3) in place of acetohydroxamic acid.				J Med Chem 45: 5628-39 (2002) BindingDB Entry DOI: 10.7270/Q20C4V3M
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
RRM1/RRM2 holoenzyme (Homo sapiens (Human))	BDBM50017811 (CHEMBL467 \| HU \| HYDROXYUREA \| US10155732, Compoun...) Show SMILES NC(=O)NO Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	US Patent	n/a	n/a	1.48E+5	n/a	n/a	n/a	n/a	n/a	n/a
City of Hope US Patent					Assay Description A diverse compound library from NCI Developmental Therapeutics Program (DTP) was subjected to a virtual screening process to identify potential RR in...				US Patent US10155732 (2018) BindingDB Entry DOI: 10.7270/Q22V2J6X
City of Hope US Patent					More data for this Ligand-Target Pair