Compile Data Set for Download or QSAR

Found 19 hits of ic50 for UniProtKB: P01730   

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
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50123450 (CHEMBL3143464 | Chloropeptin I analogue) Show SMILES CN1[C@@H](Cc2ccc(Oc3cc4cc(c3O)-c3ccc5c(C[C@@H](NC(=O)C(O)(CC(C)=O)c6cc(Cl)c(O)c(Cl)c6)C(=O)N[C@H](c6cc(Cl)c(O)c(Cl)c6)C(=O)N[C@H]4C(=O)N[C@H](c4cc(Cl)c(O)c(Cl)c4)C1=O)c[nH]c5c3)cc2)C(=O)N[C@@H](C(O)=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C64H51Cl6N7O16/c1-26(78)24-64(92,34-22-43(69)56(83)44(70)23-34)63(91)72-46-20-33-25-71-45-19-29(7-12-37(33)45)38-14-30-21-48(53(38)80)93-36-10-3-27(4-11-36)13-47(58(85)76-52(62(89)90)28-5-8-35(79)9-6-28)77(2)61(88)51(32-17-41(67)55(82)42(68)18-32)75-60(87)49(30)74-59(86)50(73-57(46)84)31-15-39(65)54(81)40(66)16-31/h3-12,14-19,21-23,25,46-47,49-52,71,79-83,92H,13,20,24H2,1-2H3,(H,72,91)(H,73,84)(H,74,86)(H,75,87)(H,76,85)(H,89,90)	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	130	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against CD4-gp120 binding in the absence of fetal bovine serum (FBS); Range is 0.13-0.5 uM				Bioorg Med Chem Lett 13: 573-5 (2003) BindingDB Entry DOI: 10.7270/Q2416XK8
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50123449 (CHEMBL437996 | Chloropeptin II | ISOCOMPLESTATIN) Show SMILES [H][C@@]12NC(=O)[C@H](NC(=O)[C@@H](Cc3c[nH]c4cc(ccc34)-c3cc1cc(Oc1ccc(C[C@H](N(C)C(=O)[C@H](NC2=O)c2cc(Cl)c(O)c(Cl)c2)C(=O)N[C@@H](C(O)=O)c2ccc(O)cc2)cc1)c3O)NC(=O)C(=O)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1 |r| Show InChI InChI=1S/C61H45Cl6N7O15/c1-74-44(56(82)73-49(61(87)88)25-4-7-32(75)8-5-25)12-24-2-9-33(10-3-24)89-45-22-27-13-35(51(45)77)26-6-11-34-31(23-68-42(34)20-26)21-43(69-59(85)50(76)30-18-40(66)54(80)41(67)19-30)55(81)70-47(28-14-36(62)52(78)37(63)15-28)57(83)71-46(27)58(84)72-48(60(74)86)29-16-38(64)53(79)39(65)17-29/h2-11,13-20,22-23,43-44,46-49,68,75,77-80H,12,21H2,1H3,(H,69,85)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against CD4-gp120 binding in the absence of fetal bovine serum (FBS); Range is 0.13-0.5 uM				Bioorg Med Chem Lett 13: 573-5 (2003) BindingDB Entry DOI: 10.7270/Q2416XK8
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50366855 (CHEMBL525803 | Chloropeptin) Show SMILES CN1[C@@H](Cc2ccc(Oc3cc4cc(c3O)-c3cccc5c(C[C@@H](NC(=O)C(=O)c6cc(Cl)c(O)c(Cl)c6)C(=O)N[C@H](c6cc(Cl)c(O)c(Cl)c6)C(=O)N[C@H]4C(=O)N[C@H](c4cc(Cl)c(O)c(Cl)c4)C1=O)c[nH]c35)cc2)C(=O)N[C@@H](C(O)=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C61H45Cl6N7O15/c1-74-43(56(82)73-48(61(87)88)25-7-9-31(75)10-8-25)13-24-5-11-32(12-6-24)89-44-22-26-14-35(51(44)77)34-4-2-3-33-30(23-68-49(33)34)21-42(69-59(85)50(76)29-19-40(66)54(80)41(67)20-29)55(81)70-46(27-15-36(62)52(78)37(63)16-27)57(83)71-45(26)58(84)72-47(60(74)86)28-17-38(64)53(79)39(65)18-28/h2-12,14-20,22-23,42-43,45-48,68,75,77-80H,13,21H2,1H3,(H,69,85)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t42-,43+,45-,46-,47-,48-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against CD4-gp120 binding in the absence of fetal bovine serum (FBS); Range is 0.13-0.5 uM				Bioorg Med Chem Lett 13: 573-5 (2003) BindingDB Entry DOI: 10.7270/Q2416XK8
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50548974 (CHEMBL4747494) Show SMILES Cl.Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(OCC3CCCCC3)cc(CCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1)n2 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to signal peptide of human CD4-YFP expressed in CHO-K1 cells assessed down-modulation of CD4 surface expression incubated for 24 hrs...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115816 BindingDB Entry DOI: 10.7270/Q2MG7T3Z
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50545414 (CHEMBL1852155) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCN(Cc2ccccc2)CCCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C31H39N3O4S2/c1-26-11-15-30(16-12-26)39(35,36)33-21-7-19-32(25-29-9-5-4-6-10-29)20-8-22-34(24-28(3)23-33)40(37,38)31-17-13-27(2)14-18-31/h4-6,9-18H,3,7-8,19-25H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Nevada Curated by ChEMBL					Assay Description Inhibition of FITC-tagged human CD4 expressed in human SUP-T1 cells after 72 hrs by FACS analysis				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127115 BindingDB Entry DOI: 10.7270/Q2SB49BX
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50548980 (CHEMBL4791666) Show SMILES Cl.CCc1cc2CCN(CC(=C)CN(CCc(c1)n2)S(=O)(=O)c1ccc(cc1)N(C)C)S(=O)(=O)c1ccc(cc1)N(C)C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to signal peptide of human CD4-YFP expressed in CHO-K1 cells assessed down-modulation of CD4 surface expression incubated for 24 hrs...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115816 BindingDB Entry DOI: 10.7270/Q2MG7T3Z
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50545414 (CHEMBL1852155) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCN(Cc2ccccc2)CCCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C31H39N3O4S2/c1-26-11-15-30(16-12-26)39(35,36)33-21-7-19-32(25-29-9-5-4-6-10-29)20-8-22-34(24-28(3)23-33)40(37,38)31-17-13-27(2)14-18-31/h4-6,9-18H,3,7-8,19-25H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to signal peptide of human CD4-YFP expressed in CHO-K1 cells assessed down-modulation of CD4 surface expression incubated for 24 hrs...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115816 BindingDB Entry DOI: 10.7270/Q2MG7T3Z
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50548973 (CHEMBL4746252) Show SMILES Cl.Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(OCc3ccccc3)cc(CCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1)n2 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to signal peptide of human CD4-YFP expressed in CHO-K1 cells assessed down-modulation of CD4 surface expression incubated for 24 hrs...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115816 BindingDB Entry DOI: 10.7270/Q2MG7T3Z
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50548976 (CHEMBL4750983) Show SMILES Cl.CCCCc1cc2CCN(CC(=C)CN(CCc(c1)n2)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to signal peptide of human CD4-YFP expressed in CHO-K1 cells assessed down-modulation of CD4 surface expression incubated for 24 hrs...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115816 BindingDB Entry DOI: 10.7270/Q2MG7T3Z
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50548977 (CHEMBL4786809) Show SMILES Cl.CC(C)Cc1cc2CCN(CC(=C)CN(CCc(c1)n2)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to signal peptide of human CD4-YFP expressed in CHO-K1 cells assessed down-modulation of CD4 surface expression incubated for 24 hrs...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115816 BindingDB Entry DOI: 10.7270/Q2MG7T3Z
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50548978 (CHEMBL4748787) Show SMILES Cl.Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(cc(CCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1)n2)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to signal peptide of human CD4-YFP expressed in CHO-K1 cells assessed down-modulation of CD4 surface expression incubated for 24 hrs...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115816 BindingDB Entry DOI: 10.7270/Q2MG7T3Z
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50548975 (CHEMBL4758659) Show SMILES Cl.CCCc1cc2CCN(CC(=C)CN(CCc(c1)n2)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to signal peptide of human CD4-YFP expressed in CHO-K1 cells assessed down-modulation of CD4 surface expression incubated for 24 hrs...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115816 BindingDB Entry DOI: 10.7270/Q2MG7T3Z
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50548968 (CHEMBL4755141) Show SMILES Cl.CCc1cc2CCN(CC(=C)CN(CCc(c1)n2)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to signal peptide of human CD4-YFP expressed in CHO-K1 cells assessed down-modulation of CD4 surface expression incubated for 24 hrs...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115816 BindingDB Entry DOI: 10.7270/Q2MG7T3Z
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50548969 (CHEMBL4783761) Show SMILES Cl.Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(cc(CCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1)n2)C(C)(C)C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to signal peptide of human CD4-YFP expressed in CHO-K1 cells assessed down-modulation of CD4 surface expression incubated for 24 hrs...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115816 BindingDB Entry DOI: 10.7270/Q2MG7T3Z
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50548972 (CHEMBL4782080) Show SMILES Cl.CCOc1cc2CCN(CC(=C)CN(CCc(c1)n2)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to signal peptide of human CD4-YFP expressed in CHO-K1 cells assessed down-modulation of CD4 surface expression incubated for 24 hrs...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115816 BindingDB Entry DOI: 10.7270/Q2MG7T3Z
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50548979 (CHEMBL4785236) Show SMILES Cl.Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(C)cc(CCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1)n2 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to signal peptide of human CD4-YFP expressed in CHO-K1 cells assessed down-modulation of CD4 surface expression incubated for 24 hrs...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115816 BindingDB Entry DOI: 10.7270/Q2MG7T3Z
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50548971 (CHEMBL4743003) Show SMILES Cl.COc1cc2CCN(CC(=C)CN(CCc(c1)n2)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to signal peptide of human CD4-YFP expressed in CHO-K1 cells assessed down-modulation of CD4 surface expression incubated for 24 hrs...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115816 BindingDB Entry DOI: 10.7270/Q2MG7T3Z
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50548967 (CHEMBL4783030) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cccc(CCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1)n2 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to signal peptide of human CD4-YFP expressed in CHO-K1 cells assessed down-modulation of CD4 surface expression incubated for 24 hrs...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115816 BindingDB Entry DOI: 10.7270/Q2MG7T3Z
					More data for this Ligand-Target Pair
T-cell surface glycoprotein CD4 (Homo sapiens (Human))	BDBM50548970 (CHEMBL4750160) Show SMILES Br.Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(O)cc(CCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1)n2 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to signal peptide of human CD4-YFP expressed in CHO-K1 cells assessed down-modulation of CD4 surface expression incubated for 24 hrs...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115816 BindingDB Entry DOI: 10.7270/Q2MG7T3Z
					More data for this Ligand-Target Pair