Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'hertz' and Initial = 'r'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
ATP-citrate synthase (Rattus norvegicus)	BDBM50018569 (3,3,14,14-Tetramethyl-hexadecanedioic acid | CHEMB...) Show SMILES CC(C)(CCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O Show InChI InChI=1S/C20H38O4/c1-19(2,15-17(21)22)13-11-9-7-5-6-8-10-12-14-20(3,4)16-18(23)24/h5-16H2,1-4H3,(H,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.60E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University Curated by ChEMBL					Assay Description Inhibition against ATP-citrate lyase in liver.				J Med Chem 32: 2072-84 (1989) BindingDB Entry DOI: 10.7270/Q2N015HP
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50018564 (3,3,16,16-Tetramethyl-octadecanedioic acid | CHEMB...) Show SMILES CC(C)(CCCCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O Show InChI InChI=1S/C22H42O4/c1-21(2,17-19(23)24)15-13-11-9-7-5-6-8-10-12-14-16-22(3,4)18-20(25)26/h5-18H2,1-4H3,(H,23,24)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.60E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University Curated by ChEMBL					Assay Description Inhibition against ATP-citrate lyase in liver				J Med Chem 32: 2072-84 (1989) BindingDB Entry DOI: 10.7270/Q2N015HP
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50018566 (3,3,12,12-Tetramethyl-tetradecanedioic acid | CHEM...) Show SMILES CC(C)(CCCCCCCCC(C)(C)CC(O)=O)CC(O)=O Show InChI InChI=1S/C18H34O4/c1-17(2,13-15(19)20)11-9-7-5-6-8-10-12-18(3,4)14-16(21)22/h5-14H2,1-4H3,(H,19,20)(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.60E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University Curated by ChEMBL					Assay Description Inhibition against ATP-citrate lyase in rat liver.				J Med Chem 32: 2072-84 (1989) BindingDB Entry DOI: 10.7270/Q2N015HP
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50018568 (3,3,18,18-Tetramethyl-icosanedioic acid | CHEMBL66...) Show SMILES CC(C)(CCCCCCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O Show InChI InChI=1S/C24H46O4/c1-23(2,19-21(25)26)17-15-13-11-9-7-5-6-8-10-12-14-16-18-24(3,4)20-22(27)28/h5-20H2,1-4H3,(H,25,26)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.60E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University Curated by ChEMBL					Assay Description Inhibition against ATP-citrate lyase in liver				J Med Chem 32: 2072-84 (1989) BindingDB Entry DOI: 10.7270/Q2N015HP
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50018567 (3,3,10,10-Tetramethyl-dodecanedioic acid | CHEMBL6...) Show SMILES CC(C)(CCCCCCC(C)(C)CC(O)=O)CC(O)=O Show InChI InChI=1S/C16H30O4/c1-15(2,11-13(17)18)9-7-5-6-8-10-16(3,4)12-14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.10E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University Curated by ChEMBL					Assay Description Inhibition against ATP-citrate lyase in rat liver				J Med Chem 32: 2072-84 (1989) BindingDB Entry DOI: 10.7270/Q2N015HP
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50018565 (3,3,20,20-Tetramethyl-docosanedioic acid | CHEMBL6...) Show SMILES CC(C)(CCCCCCCCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O Show InChI InChI=1S/C26H50O4/c1-25(2,21-23(27)28)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-26(3,4)22-24(29)30/h5-22H2,1-4H3,(H,27,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University Curated by ChEMBL					Assay Description Inhibition against ATP-citrate lyase in liver				J Med Chem 32: 2072-84 (1989) BindingDB Entry DOI: 10.7270/Q2N015HP
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50140791 (1-(3-Bromo-4-cyano-2-hydroxy-phenyl)-3-(2-bromo-ph...) Show SMILES Oc1c(NC(=O)Nc2ccccc2Br)ccc(C#N)c1Br Show InChI InChI=1S/C14H9Br2N3O2/c15-9-3-1-2-4-10(9)18-14(21)19-11-6-5-8(7-17)12(16)13(11)20/h1-6,20H,(H2,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand				J Med Chem 47: 1319-21 (2004) Article DOI: 10.1021/jm034248l BindingDB Entry DOI: 10.7270/Q29G5M7Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50140795 (1-(2-Bromo-phenyl)-3-(3-chloro-4-cyano-2-hydroxy-p...) Show SMILES Oc1c(Cl)c(ccc1NC(=O)Nc1ccccc1Br)C#N Show InChI InChI=1S/C14H9BrClN3O2/c15-9-3-1-2-4-10(9)18-14(21)19-11-6-5-8(7-17)12(16)13(11)20/h1-6,20H,(H2,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand				J Med Chem 47: 1319-21 (2004) Article DOI: 10.1021/jm034248l BindingDB Entry DOI: 10.7270/Q29G5M7Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50140796 (1-(2-Bromo-phenyl)-3-(4-cyano-2-hydroxy-phenyl)-ur...) Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1Br)C#N Show InChI InChI=1S/C14H10BrN3O2/c15-10-3-1-2-4-11(10)17-14(20)18-12-6-5-9(8-16)7-13(12)19/h1-7,19H,(H2,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand				J Med Chem 47: 1319-21 (2004) Article DOI: 10.1021/jm034248l BindingDB Entry DOI: 10.7270/Q29G5M7Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50140789 (1-(2-Bromo-phenyl)-3-(4-chloro-3-cyano-2-hydroxy-p...) Show SMILES Oc1c(NC(=O)Nc2ccccc2Br)ccc(Cl)c1C#N Show InChI InChI=1S/C14H9BrClN3O2/c15-9-3-1-2-4-11(9)18-14(21)19-12-6-5-10(16)8(7-17)13(12)20/h1-6,20H,(H2,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand				J Med Chem 47: 1319-21 (2004) Article DOI: 10.1021/jm034248l BindingDB Entry DOI: 10.7270/Q29G5M7Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50140792 (1-(4-Cyano-2-hydroxy-phenyl)-3-phenyl-urea | 1-(4-...) Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1)C#N Show InChI InChI=1S/C14H11N3O2/c15-9-10-6-7-12(13(18)8-10)17-14(19)16-11-4-2-1-3-5-11/h1-8,18H,(H2,16,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand				J Med Chem 47: 1319-21 (2004) Article DOI: 10.1021/jm034248l BindingDB Entry DOI: 10.7270/Q29G5M7Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50140794 (1-(2-Hydroxy-4-nitro-phenyl)-3-phenyl-urea | 1-(2-...) Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C13H11N3O4/c17-12-8-10(16(19)20)6-7-11(12)15-13(18)14-9-4-2-1-3-5-9/h1-8,17H,(H2,14,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand				J Med Chem 47: 1319-21 (2004) Article DOI: 10.1021/jm034248l BindingDB Entry DOI: 10.7270/Q29G5M7Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50140793 (1-(2-Hydroxy-3-nitro-phenyl)-3-phenyl-urea | CHEMB...) Show SMILES Oc1c(NC(=O)Nc2ccccc2)cccc1[N+]([O-])=O Show InChI InChI=1S/C13H11N3O4/c17-12-10(7-4-8-11(12)16(19)20)15-13(18)14-9-5-2-1-3-6-9/h1-8,17H,(H2,14,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand				J Med Chem 47: 1319-21 (2004) Article DOI: 10.1021/jm034248l BindingDB Entry DOI: 10.7270/Q29G5M7Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50140791 (1-(3-Bromo-4-cyano-2-hydroxy-phenyl)-3-(2-bromo-ph...) Show SMILES Oc1c(NC(=O)Nc2ccccc2Br)ccc(C#N)c1Br Show InChI InChI=1S/C14H9Br2N3O2/c15-9-3-1-2-4-10(9)18-14(21)19-11-6-5-8(7-17)12(16)13(11)20/h1-6,20H,(H2,18,19,21)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]-IL-8 radioligand				J Med Chem 47: 1319-21 (2004) Article DOI: 10.1021/jm034248l BindingDB Entry DOI: 10.7270/Q29G5M7Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50140795 (1-(2-Bromo-phenyl)-3-(3-chloro-4-cyano-2-hydroxy-p...) Show SMILES Oc1c(Cl)c(ccc1NC(=O)Nc1ccccc1Br)C#N Show InChI InChI=1S/C14H9BrClN3O2/c15-9-3-1-2-4-10(9)18-14(21)19-11-6-5-8(7-17)12(16)13(11)20/h1-6,20H,(H2,18,19,21)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]-IL-8 radioligand				J Med Chem 47: 1319-21 (2004) Article DOI: 10.1021/jm034248l BindingDB Entry DOI: 10.7270/Q29G5M7Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50140790 (1-(2-Hydroxy-5-nitro-phenyl)-3-phenyl-urea | CHEMB...) Show SMILES Oc1ccc(cc1NC(=O)Nc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C13H11N3O4/c17-12-7-6-10(16(19)20)8-11(12)15-13(18)14-9-4-2-1-3-5-9/h1-8,17H,(H2,14,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand				J Med Chem 47: 1319-21 (2004) Article DOI: 10.1021/jm034248l BindingDB Entry DOI: 10.7270/Q29G5M7Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50140789 (1-(2-Bromo-phenyl)-3-(4-chloro-3-cyano-2-hydroxy-p...) Show SMILES Oc1c(NC(=O)Nc2ccccc2Br)ccc(Cl)c1C#N Show InChI InChI=1S/C14H9BrClN3O2/c15-9-3-1-2-4-11(9)18-14(21)19-12-6-5-10(16)8(7-17)13(12)20/h1-6,20H,(H2,18,19,21)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]-IL-8 radioligand				J Med Chem 47: 1319-21 (2004) Article DOI: 10.1021/jm034248l BindingDB Entry DOI: 10.7270/Q29G5M7Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50140796 (1-(2-Bromo-phenyl)-3-(4-cyano-2-hydroxy-phenyl)-ur...) Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1Br)C#N Show InChI InChI=1S/C14H10BrN3O2/c15-10-3-1-2-4-11(10)17-14(20)18-12-6-5-9(8-16)7-13(12)19/h1-7,19H,(H2,17,18,20)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]-IL-8 radioligand				J Med Chem 47: 1319-21 (2004) Article DOI: 10.1021/jm034248l BindingDB Entry DOI: 10.7270/Q29G5M7Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50140794 (1-(2-Hydroxy-4-nitro-phenyl)-3-phenyl-urea | 1-(2-...) Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C13H11N3O4/c17-12-8-10(16(19)20)6-7-11(12)15-13(18)14-9-4-2-1-3-5-9/h1-8,17H,(H2,14,15,18)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]-IL-8 radioligand				J Med Chem 47: 1319-21 (2004) Article DOI: 10.1021/jm034248l BindingDB Entry DOI: 10.7270/Q29G5M7Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50140792 (1-(4-Cyano-2-hydroxy-phenyl)-3-phenyl-urea | 1-(4-...) Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1)C#N Show InChI InChI=1S/C14H11N3O2/c15-9-10-6-7-12(13(18)8-10)17-14(19)16-11-4-2-1-3-5-11/h1-8,18H,(H2,16,17,19)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]-IL-8 radioligand				J Med Chem 47: 1319-21 (2004) Article DOI: 10.1021/jm034248l BindingDB Entry DOI: 10.7270/Q29G5M7Q
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50281340 (5-{[(2-Chloro-ethyl)-ethyl-amino]-methyl}-3,3-diph...) Show SMILES CCN(CCCl)CC1CC(C(=O)O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H24ClNO2/c1-2-23(14-13-22)16-19-15-21(20(24)25-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for ability to block the CD4-gp120 interaction measured by binding of [125I]-sCD4 to gp120				Bioorg Med Chem Lett 3: 2851-2856 (1993) Article DOI: 10.1016/S0960-894X(01)80778-2 BindingDB Entry DOI: 10.7270/Q2XP74VD
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50281340 (5-{[(2-Chloro-ethyl)-ethyl-amino]-methyl}-3,3-diph...) Show SMILES CCN(CCCl)CC1CC(C(=O)O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H24ClNO2/c1-2-23(14-13-22)16-19-15-21(20(24)25-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in an HIV viral syncytium assay for inhibition of binding of recombinant CD4-gp120				Bioorg Med Chem Lett 3: 2851-2856 (1993) Article DOI: 10.1016/S0960-894X(01)80778-2 BindingDB Entry DOI: 10.7270/Q2XP74VD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50140793 (1-(2-Hydroxy-3-nitro-phenyl)-3-phenyl-urea | CHEMB...) Show SMILES Oc1c(NC(=O)Nc2ccccc2)cccc1[N+]([O-])=O Show InChI InChI=1S/C13H11N3O4/c17-12-10(7-4-8-11(12)16(19)20)15-13(18)14-9-5-2-1-3-6-9/h1-8,17H,(H2,14,15,18)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]-IL-8 radioligand				J Med Chem 47: 1319-21 (2004) Article DOI: 10.1021/jm034248l BindingDB Entry DOI: 10.7270/Q29G5M7Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50140790 (1-(2-Hydroxy-5-nitro-phenyl)-3-phenyl-urea | CHEMB...) Show SMILES Oc1ccc(cc1NC(=O)Nc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C13H11N3O4/c17-12-7-6-10(16(19)20)8-11(12)15-13(18)14-9-4-2-1-3-5-9/h1-8,17H,(H2,14,15,18)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]-IL-8 radioligand				J Med Chem 47: 1319-21 (2004) Article DOI: 10.1021/jm034248l BindingDB Entry DOI: 10.7270/Q29G5M7Q
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50281340 (5-{[(2-Chloro-ethyl)-ethyl-amino]-methyl}-3,3-diph...) Show SMILES CCN(CCCl)CC1CC(C(=O)O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H24ClNO2/c1-2-23(14-13-22)16-19-15-21(20(24)25-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for rate constant of binding to inhibit soluble recombinant CD4-gp120 ; value ranges form 4-20 uM				Bioorg Med Chem Lett 3: 2851-2856 (1993) Article DOI: 10.1016/S0960-894X(01)80778-2 BindingDB Entry DOI: 10.7270/Q2XP74VD
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50281339 ((S)-2-{(S)-2-[(4S,9S)-9-((R)-1-Amino-2-hydroxy-eth...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N1NC(=O)[C@@H](CCC(=O)N[C@@H](CO)C1=O)[C@@H](N)CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C36H51N7O9/c1-21(2)16-27(33(49)41-31(22(3)46)35(51)38-18-24-12-8-5-9-13-24)40-34(50)29(17-23-10-6-4-7-11-23)43-36(52)28(20-45)39-30(47)15-14-25(26(37)19-44)32(48)42-43/h4-13,21-22,25-29,31,44-46H,14-20,37H2,1-3H3,(H,38,51)(H,39,47)(H,40,50)(H,41,49)(H,42,48)/t22-,25+,26+,27+,28+,29+,31+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of binding of soluble recombinant CD4-gp120 using ELISA assay				Bioorg Med Chem Lett 3: 2851-2856 (1993) Article DOI: 10.1016/S0960-894X(01)80778-2 BindingDB Entry DOI: 10.7270/Q2XP74VD
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50280411 ((R)-2-[((R)-1-Methoxyoxalyl-pyrrolidine-2-carbonyl...) Show SMILES COC(=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C24H26N2O6/c1-31-24(30)22(28)26-14-8-13-20(26)21(27)25-19(15-17-9-4-2-5-10-17)23(29)32-16-18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3,(H,25,27)/t19-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of binding of soluble recombinant CD4-gp120 using ELISA assay				Bioorg Med Chem Lett 3: 2851-2856 (1993) Article DOI: 10.1016/S0960-894X(01)80778-2 BindingDB Entry DOI: 10.7270/Q2XP74VD
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50281339 ((S)-2-{(S)-2-[(4S,9S)-9-((R)-1-Amino-2-hydroxy-eth...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N1NC(=O)[C@@H](CCC(=O)N[C@@H](CO)C1=O)[C@@H](N)CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C36H51N7O9/c1-21(2)16-27(33(49)41-31(22(3)46)35(51)38-18-24-12-8-5-9-13-24)40-34(50)29(17-23-10-6-4-7-11-23)43-36(52)28(20-45)39-30(47)15-14-25(26(37)19-44)32(48)42-43/h4-13,21-22,25-29,31,44-46H,14-20,37H2,1-3H3,(H,38,51)(H,39,47)(H,40,50)(H,41,49)(H,42,48)/t22-,25+,26+,27+,28+,29+,31+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of binding of soluble recombinant CD4-gp120 using ELISA assay				Bioorg Med Chem Lett 3: 2851-2856 (1993) Article DOI: 10.1016/S0960-894X(01)80778-2 BindingDB Entry DOI: 10.7270/Q2XP74VD
					More data for this Ligand-Target Pair