Compile Data Set for Download or QSAR

Found 11 hits of ic50 for UniProtKB: P02768   

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
Albumin (Homo sapiens (Human))	BDBM50118508 (CHEMBL264831 | FMS3-gentamicin C1) Show SMILES CNC(C)[C@H]1CCC(NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1 Show InChI InChI=1S/C66H73N5O22S3/c1-33(67-3)55-24-23-52(69-63(74)87-29-49-40-14-8-5-11-37(40)43-20-17-34(25-46(43)49)94(78,79)80)61(91-55)92-58-53(70-64(75)88-30-50-41-15-9-6-12-38(41)44-21-18-35(26-47(44)50)95(81,82)83)28-54(59(56(58)72)93-62-57(73)60(68-4)66(2,77)32-90-62)71-65(76)89-31-51-42-16-10-7-13-39(42)45-22-19-36(27-48(45)51)96(84,85)86/h5-22,25-27,33,49-62,67-68,72-73,77H,23-24,28-32H2,1-4H3,(H,69,74)(H,70,75)(H,71,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)/t33?,49?,50?,51?,52?,53?,54-,55-,56-,57+,58-,59?,60?,61-,62-,66+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Evaluated for inhibition of Serum albumin evoked PNPA hydrolysis in presence of 3.0 M of FMS				J Med Chem 45: 4264-70 (2002) BindingDB Entry DOI: 10.7270/Q24Q7TB5
					More data for this Ligand-Target Pair
Albumin (Homo sapiens (Human))	BDBM50118508 (CHEMBL264831 | FMS3-gentamicin C1) Show SMILES CNC(C)[C@H]1CCC(NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1 Show InChI InChI=1S/C66H73N5O22S3/c1-33(67-3)55-24-23-52(69-63(74)87-29-49-40-14-8-5-11-37(40)43-20-17-34(25-46(43)49)94(78,79)80)61(91-55)92-58-53(70-64(75)88-30-50-41-15-9-6-12-38(41)44-21-18-35(26-47(44)50)95(81,82)83)28-54(59(56(58)72)93-62-57(73)60(68-4)66(2,77)32-90-62)71-65(76)89-31-51-42-16-10-7-13-39(42)45-22-19-36(27-48(45)51)96(84,85)86/h5-22,25-27,33,49-62,67-68,72-73,77H,23-24,28-32H2,1-4H3,(H,69,74)(H,70,75)(H,71,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)/t33?,49?,50?,51?,52?,53?,54-,55-,56-,57+,58-,59?,60?,61-,62-,66+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Evaluated for inhibition of Serum albumin evoked PNPA hydrolysis in presence of 2.1 M of FMS				J Med Chem 45: 4264-70 (2002) BindingDB Entry DOI: 10.7270/Q24Q7TB5
					More data for this Ligand-Target Pair
Albumin (Homo sapiens (Human))	BDBM50118508 (CHEMBL264831 | FMS3-gentamicin C1) Show SMILES CNC(C)[C@H]1CCC(NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1 Show InChI InChI=1S/C66H73N5O22S3/c1-33(67-3)55-24-23-52(69-63(74)87-29-49-40-14-8-5-11-37(40)43-20-17-34(25-46(43)49)94(78,79)80)61(91-55)92-58-53(70-64(75)88-30-50-41-15-9-6-12-38(41)44-21-18-35(26-47(44)50)95(81,82)83)28-54(59(56(58)72)93-62-57(73)60(68-4)66(2,77)32-90-62)71-65(76)89-31-51-42-16-10-7-13-39(42)45-22-19-36(27-48(45)51)96(84,85)86/h5-22,25-27,33,49-62,67-68,72-73,77H,23-24,28-32H2,1-4H3,(H,69,74)(H,70,75)(H,71,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)/t33?,49?,50?,51?,52?,53?,54-,55-,56-,57+,58-,59?,60?,61-,62-,66+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Evaluated for inhibition of Serum albumin evoked PNPA hydrolysis in presence of 1.3 M of FMS				J Med Chem 45: 4264-70 (2002) BindingDB Entry DOI: 10.7270/Q24Q7TB5
					More data for this Ligand-Target Pair
Albumin (Homo sapiens (Human))	BDBM50118508 (CHEMBL264831 | FMS3-gentamicin C1) Show SMILES CNC(C)[C@H]1CCC(NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1 Show InChI InChI=1S/C66H73N5O22S3/c1-33(67-3)55-24-23-52(69-63(74)87-29-49-40-14-8-5-11-37(40)43-20-17-34(25-46(43)49)94(78,79)80)61(91-55)92-58-53(70-64(75)88-30-50-41-15-9-6-12-38(41)44-21-18-35(26-47(44)50)95(81,82)83)28-54(59(56(58)72)93-62-57(73)60(68-4)66(2,77)32-90-62)71-65(76)89-31-51-42-16-10-7-13-39(42)45-22-19-36(27-48(45)51)96(84,85)86/h5-22,25-27,33,49-62,67-68,72-73,77H,23-24,28-32H2,1-4H3,(H,69,74)(H,70,75)(H,71,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)/t33?,49?,50?,51?,52?,53?,54-,55-,56-,57+,58-,59?,60?,61-,62-,66+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Evaluated for inhibition of Serum albumin evoked PNPA hydrolysis in presence of 0.7 M of FMS				J Med Chem 45: 4264-70 (2002) BindingDB Entry DOI: 10.7270/Q24Q7TB5
					More data for this Ligand-Target Pair
Albumin (Homo sapiens (Human))	BDBM50112213 (1-Azido-2-bromo-2-chloro-1,1-difluoro-ethane | CHE...) Show SMILES FC(F)(N=[N+]=[N-])C(Cl)Br Show InChI InChI=1S/C2HBrClF2N3/c3-1(4)2(5,6)8-9-7/h1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Health System Curated by ChEMBL					Assay Description Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching				J Med Chem 45: 1879-86 (2002) BindingDB Entry DOI: 10.7270/Q2QF8S79
					More data for this Ligand-Target Pair
Albumin (Homo sapiens (Human))	BDBM50112209 (3-Bromo-3-trifluoromethyl-3H-diazirine | CHEMBL298...) Show SMILES FC(F)(F)C1(Br)N=N1 |c:6| Show InChI InChI=1S/C2BrF3N2/c3-1(7-8-1)2(4,5)6	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Health System Curated by ChEMBL					Assay Description Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching				J Med Chem 45: 1879-86 (2002) BindingDB Entry DOI: 10.7270/Q2QF8S79
					More data for this Ligand-Target Pair
Albumin (Homo sapiens (Human))	BDBM50112214 (3-Bromo-3-(2-chloro-1,1,2-trifluoro-ethyl)-3H-diaz...) Show SMILES FC(Cl)C(F)(F)C1(Br)N=N1 |c:8| Show InChI InChI=1S/C3HBrClF3N2/c4-3(9-10-3)2(7,8)1(5)6/h1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Health System Curated by ChEMBL					Assay Description Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching				J Med Chem 45: 1879-86 (2002) BindingDB Entry DOI: 10.7270/Q2QF8S79
					More data for this Ligand-Target Pair
Albumin (Homo sapiens (Human))	BDBM50112210 (3-(2-Bromo-2-chloro-1,1-difluoro-ethyl)-3H-diaziri...) Show SMILES FC(F)(C(Cl)Br)C1N=N1 |c:7| Show InChI InChI=1S/C3H2BrClF2N2/c4-1(5)3(6,7)2-8-9-2/h1-2H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Health System Curated by ChEMBL					Assay Description Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching				J Med Chem 45: 1879-86 (2002) BindingDB Entry DOI: 10.7270/Q2QF8S79
					More data for this Ligand-Target Pair
Albumin (Homo sapiens (Human))	BDBM50112215 (2-Diazo-1,1,1-trifluoro-ethane | CHEMBL54683) Show SMILES FC(F)(F)[CH-][N+]#N Show InChI InChI=1S/C2HF3N2/c3-2(4,5)1-7-6/h1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Health System Curated by ChEMBL					Assay Description Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching				J Med Chem 45: 1879-86 (2002) BindingDB Entry DOI: 10.7270/Q2QF8S79
					More data for this Ligand-Target Pair
Albumin (Homo sapiens (Human))	BDBM50112211 (3-(2-Chloro-1,1,2-trifluoro-ethyl)-3-fluoro-3H-dia...) Show SMILES FC(Cl)C(F)(F)C1(F)N=N1 |c:8| Show InChI InChI=1S/C3HClF4N2/c4-1(5)2(6,7)3(8)9-10-3/h1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.20E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Health System Curated by ChEMBL					Assay Description Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching				J Med Chem 45: 1879-86 (2002) BindingDB Entry DOI: 10.7270/Q2QF8S79
					More data for this Ligand-Target Pair
Albumin (Homo sapiens (Human))	BDBM50112212 (1,1,1-trifluoro-2-bromo-2-chloroethane | 1,1,1-tri...) Show SMILES FC(F)(F)C(Cl)Br Show InChI InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	DrugBank PDB PubMed	n/a	n/a	2.90E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Health System Curated by ChEMBL					Assay Description Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching				J Med Chem 45: 1879-86 (2002) BindingDB Entry DOI: 10.7270/Q2QF8S79
					More data for this Ligand-Target Pair				3D Structure (crystal)