BindingDB PrimarySearch

BDBM50368352 Cerubidine::DAUNORUBICIN

SMILES: COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O

InChI Key: InChIKey=STQGQHZAVUOBTE-VGBVRHCVSA-N

Data: 5 KI 5 IC50

PDB links: 16 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50368352
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50368352 (Cerubidine \| DAUNORUBICIN) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Denmark Curated by ChEMBL					Assay Description Inhibitory concentration against Clostridium histolyticum Collagenase				J Med Chem 35: 2768-71 (1992) Article DOI: 10.1021/jm00093a008 BindingDB Entry DOI: 10.7270/Q2FN16SC
Technical University of Denmark Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50368352 (Cerubidine \| DAUNORUBICIN) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.05 uM) in membrane vesicle from MRP1-expressing HeLa cells				J Biol Chem 271: 9683-9 (1996) Article DOI: 10.1074/jbc.271.16.9683 BindingDB Entry DOI: 10.7270/Q2PC33NH
Queen's University Curated by ChEMBL					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50368352 (Cerubidine \| DAUNORUBICIN) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase using Poly(rA).p(dT) (12 to 18) as substrate after 30 mins by single point PCR assay				Bioorg Med Chem Lett 22: 4844-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.041 BindingDB Entry DOI: 10.7270/Q2SJ1PG6
University of Missouri Curated by ChEMBL					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50368352 (Cerubidine \| DAUNORUBICIN) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Inhibition of HIV1 RT				J Nat Prod 54: 143-54 Article DOI: 10.1021/np50073a012 BindingDB Entry DOI: 10.7270/Q2NK3HTG
University of Illinois Curated by ChEMBL					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50368352 (Cerubidine \| DAUNORUBICIN) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
MediChem Research, Inc. Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase p66/p51 expressed in Escherichia coli				J Nat Prod 60: 884-8 (1997) Article DOI: 10.1021/np9700275 BindingDB Entry DOI: 10.7270/Q2JD50MP
MediChem Research, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50368352 (Cerubidine \| DAUNORUBICIN) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Taxol transepithelial transport (basal to apical) in Caco-2 cells				Pharm Res 18: 171-6 (2001) Article DOI: 10.1023/a:1011076217118 BindingDB Entry DOI: 10.7270/Q2N300T9
The University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50368352 (Cerubidine \| DAUNORUBICIN) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicles from SR3A cells				Biochem Biophys Res Commun 247: 859-63 (1998) Article DOI: 10.1006/bbrc.1998.8887 BindingDB Entry DOI: 10.7270/Q2BR8W1J
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2) (Homo sapiens (Human))	BDBM50368352 (Cerubidine \| DAUNORUBICIN) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Vinblastine transepithelial transport (basal to apical) in MRP2-expressing MDCK cells				Pharm Res 19: 773-9 (2002) Article DOI: 10.1023/a:1016192413308 BindingDB Entry DOI: 10.7270/Q2765GMM
The University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50368352 (Cerubidine \| DAUNORUBICIN) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) in MDR1-expressing MDCK cells				Pharm Res 19: 765-72 (2002) Article DOI: 10.1023/a:1016140429238 BindingDB Entry DOI: 10.7270/Q2BZ67B1
The University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50368352 (Cerubidine \| DAUNORUBICIN) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academic Hospital Vrije Universiteit Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of DNP-SG uptake in membrane vesicles from GLC4/ADR cells				Biochim Biophys Acta 1326: 12-22 (1997) Article DOI: 10.1016/s0005-2736(97)00003-5 BindingDB Entry DOI: 10.7270/Q2668FFS
Academic Hospital Vrije Universiteit Curated by ChEMBL					More data for this Ligand-Target Pair