BindingDB PrimarySearch

Found 9 hits with Last Name = 'dos santos' and Initial = 'jc'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50030474 (Avandamet \| Avandaryl \| Avandia \| BRL-49653 \| CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do ABC Curated by ChEMBL					Assay Description Displacement of fluormone from human PPARgamma LBD expressed in Escherichia coli BL21 DE3 by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5795-802 (2013) Article DOI: 10.1016/j.bmcl.2013.09.010 BindingDB Entry DOI: 10.7270/Q2D221JC
Universidade Federal do ABC Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab (2019-nCoV)	BDBM50426071 (CHEMBL406050 \| PX-12 \| US9018255, PX-12 \| med.2172...) Show SMILES CCC(C)SSc1ncc[nH]1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem		n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one \| 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50431275 (CARMOFUR \| Carm-ofur \| Mifurol \| med.21724, Compou...) Show SMILES CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM53804 (4-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)m...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do ABC Curated by ChEMBL					Assay Description Displacement of fluormone from human PPARgamma LBD expressed in Escherichia coli BL21 DE3 by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5795-802 (2013) Article DOI: 10.1016/j.bmcl.2013.09.010 BindingDB Entry DOI: 10.7270/Q2D221JC
Universidade Federal do ABC Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50387185 (CHEMBL2048021) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do ABC Curated by ChEMBL					Assay Description Displacement of fluormone from human PPARgamma LBD expressed in Escherichia coli BL21 DE3 by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5795-802 (2013) Article DOI: 10.1016/j.bmcl.2013.09.010 BindingDB Entry DOI: 10.7270/Q2D221JC
Universidade Federal do ABC Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50493700 (CHEMBL1426715) Show SMILES OC(=O)c1ccc(cc1)-n1nnnc1SCc1ccccc1Br Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do ABC Curated by ChEMBL					Assay Description Displacement of fluormone from human PPARgamma LBD expressed in Escherichia coli BL21 DE3 by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5795-802 (2013) Article DOI: 10.1016/j.bmcl.2013.09.010 BindingDB Entry DOI: 10.7270/Q2D221JC
Universidade Federal do ABC Curated by ChEMBL					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50058655 (1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...) Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents		n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50058655 (1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...) Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents		n/a	n/a	2.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair