Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'laborde' and Initial = 'e'   

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
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50339636 (1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...) Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis after 2 hrs trans-well migration assay				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50339636 (1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...) Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 16 (Homo sapiens (Human))	BDBM50029495 (7-Benzoylamino-4-methyl-9-oxo-4,9-dihydro-pyrazolo...) Show SMILES Cn1c2cc(nn2c(=O)c2cc(NC(=O)c3ccccc3)ccc12)C(O)=O Show InChI InChI=1S/C19H14N4O4/c1-22-15-8-7-12(20-17(24)11-5-3-2-4-6-11)9-13(15)18(25)23-16(22)10-14(21-23)19(26)27/h2-10H,1H3,(H,20,24)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]- NGF binding to extracellular domain of p75 receptor				J Med Chem 38: 4439-45 (1995) BindingDB Entry DOI: 10.7270/Q2W37V9R
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50339636 (1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...) Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human PBMC cells assessed as inhibition of CCL2-induced chemotaxis after 2 hrs trans-well migration assay				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50339636 (1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...) Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR5 in human PBMC cells assessed as inhibition of CCL4-induced chemotaxis after 2 hrs trans-well migration assay				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50339635 (1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbo...) Show SMILES Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50339635 (1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbo...) Show SMILES Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis after 2 hrs trans-well migration assay				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50230839 (CHEMBL15087) Show SMILES NC1CCN(C1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 Show InChI InChI=1S/C17H18FN3O3/c18-13-5-11-14(6-15(13)20-4-3-9(19)7-20)21(10-1-2-10)8-12(16(11)22)17(23)24/h5-6,8-10H,1-4,7,19H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	754	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition against DNA gyrase				J Med Chem 36: 871-82 (1993) Article DOI: 10.1021/jm00059a012 BindingDB Entry DOI: 10.7270/Q22R3VDP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50339630 (1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3-isopropox...) Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C18H18N2O5/c1-11(2)25-14-5-3-4-13(9-14)19-18(22)20-17(21)12-6-7-15-16(8-12)24-10-23-15/h3-9,11H,10H2,1-2H3,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50469854 (CHEMBL2110225) Show SMILES [H][C@@]1(CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F)[C@@H](C)N |r| Show InChI InChI=1S/C21H19F3N4O3/c1-10(25)11-4-5-27(8-11)20-16(24)7-13-18(29)14(21(30)31)9-28(19(13)26-20)17-3-2-12(22)6-15(17)23/h2-3,6-7,9-11H,4-5,8,25H2,1H3,(H,30,31)/t10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition against DNA gyrase				J Med Chem 36: 871-82 (1993) Article DOI: 10.1021/jm00059a012 BindingDB Entry DOI: 10.7270/Q22R3VDP
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 16 (Homo sapiens (Human))	BDBM50029497 (2-Methyl-7-oxo-5-(tetrazol-1-ylcarbamoyl)-4,7-dihy...) Show SMILES COC(=O)c1c(C)sc2c(O)cc(nc12)C(=O)Nn1cnnn1 Show InChI InChI=1S/C12H10N6O4S/c1-5-8(12(21)22-2)9-10(23-5)7(19)3-6(14-9)11(20)15-18-4-13-16-17-18/h3-4H,1-2H3,(H,14,19)(H,15,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]- NGF binding to extracellular domain of p75 receptor				J Med Chem 38: 4439-45 (1995) BindingDB Entry DOI: 10.7270/Q2W37V9R
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50469849 (CHEMBL2110220) Show SMILES [H][C@@]1(CCN(C1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1)[C@@H](C)N |r| Show InChI InChI=1S/C19H22FN3O3/c1-10(21)11-4-5-22(8-11)17-7-16-13(6-15(17)20)18(24)14(19(25)26)9-23(16)12-2-3-12/h6-7,9-12H,2-5,8,21H2,1H3,(H,25,26)/t10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition against DNA gyrase				J Med Chem 36: 871-82 (1993) Article DOI: 10.1021/jm00059a012 BindingDB Entry DOI: 10.7270/Q22R3VDP
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50469849 (CHEMBL2110220) Show SMILES [H][C@@]1(CCN(C1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1)[C@@H](C)N |r| Show InChI InChI=1S/C19H22FN3O3/c1-10(21)11-4-5-22(8-11)17-7-16-13(6-15(17)20)18(24)14(19(25)26)9-23(16)12-2-3-12/h6-7,9-12H,2-5,8,21H2,1H3,(H,25,26)/t10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition against DNA gyrase				J Med Chem 36: 871-82 (1993) Article DOI: 10.1021/jm00059a012 BindingDB Entry DOI: 10.7270/Q22R3VDP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Mus musculus)	BDBM50339635 (1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbo...) Show SMILES Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in mouse spleen cells assessed as inhibition of CCL2-induced chemotaxis				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50469845 (CHEMBL15296) Show SMILES NCC1CCN(C1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 Show InChI InChI=1S/C18H20FN3O3/c19-14-5-12-15(6-16(14)21-4-3-10(7-20)8-21)22(11-1-2-11)9-13(17(12)23)18(24)25/h5-6,9-11H,1-4,7-8,20H2,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition against DNA gyrase				J Med Chem 36: 871-82 (1993) Article DOI: 10.1021/jm00059a012 BindingDB Entry DOI: 10.7270/Q22R3VDP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50339628 (1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3,4-dichlor...) Show SMILES Clc1ccc(NC(=O)NC(=O)c2ccc3OCOc3c2)cc1Cl Show InChI InChI=1S/C15H10Cl2N2O4/c16-10-3-2-9(6-11(10)17)18-15(21)19-14(20)8-1-4-12-13(5-8)23-7-22-12/h1-6H,7H2,(H2,18,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50339629 (1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3-(trifluor...) Show SMILES FC(F)(F)c1cccc(NC(=O)NC(=O)c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C16H11F3N2O4/c17-16(18,19)10-2-1-3-11(7-10)20-15(23)21-14(22)9-4-5-12-13(6-9)25-8-24-12/h1-7H,8H2,(H2,20,21,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50339627 (1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3-chlorophe...) Show SMILES Clc1cccc(NC(=O)NC(=O)c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C15H11ClN2O4/c16-10-2-1-3-11(7-10)17-15(20)18-14(19)9-4-5-12-13(6-9)22-8-21-12/h1-7H,8H2,(H2,17,18,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50469855 (CHEMBL2110328) Show SMILES [H][C@@]1(CCN(C1)c1c(F)cc2c(c1C(F)(F)F)n(cc(C(O)=O)c2=O)C1CC1)[C@@H](C)NCC |r| Show InChI InChI=1S/C22H25F4N3O3/c1-3-27-11(2)12-6-7-28(9-12)19-16(23)8-14-18(17(19)22(24,25)26)29(13-4-5-13)10-15(20(14)30)21(31)32/h8,10-13,27H,3-7,9H2,1-2H3,(H,31,32)/t11-,12+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition against DNA gyrase				J Med Chem 36: 871-82 (1993) Article DOI: 10.1021/jm00059a012 BindingDB Entry DOI: 10.7270/Q22R3VDP
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50469846 (CHEMBL2110221) Show SMILES [H][C@]1(CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1)[C@@H](C)N |r| Show InChI InChI=1S/C18H21FN4O3/c1-9(20)10-4-5-22(7-10)17-14(19)6-12-15(24)13(18(25)26)8-23(11-2-3-11)16(12)21-17/h6,8-11H,2-5,7,20H2,1H3,(H,25,26)/t9-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition against DNA gyrase				J Med Chem 36: 871-82 (1993) Article DOI: 10.1021/jm00059a012 BindingDB Entry DOI: 10.7270/Q22R3VDP
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50469848 (CHEMBL3350260) Show SMILES [H][C@]1(CCN(C1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1)[C@@H](C)N |r| Show InChI InChI=1S/C19H22FN3O3/c1-10(21)11-4-5-22(8-11)17-7-16-13(6-15(17)20)18(24)14(19(25)26)9-23(16)12-2-3-12/h6-7,9-12H,2-5,8,21H2,1H3,(H,25,26)/t10-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition against DNA gyrase				J Med Chem 36: 871-82 (1993) Article DOI: 10.1021/jm00059a012 BindingDB Entry DOI: 10.7270/Q22R3VDP
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50469853 (CHEMBL15314) Show SMILES NCC1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 Show InChI InChI=1S/C17H19FN4O3/c18-13-5-11-14(23)12(17(24)25)8-22(10-1-2-10)15(11)20-16(13)21-4-3-9(6-19)7-21/h5,8-10H,1-4,6-7,19H2,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition against DNA gyrase				J Med Chem 36: 871-82 (1993) Article DOI: 10.1021/jm00059a012 BindingDB Entry DOI: 10.7270/Q22R3VDP
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50230833 (CHEMBL276583) Show SMILES NC1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 Show InChI InChI=1S/C16H17FN4O3/c17-12-5-10-13(22)11(16(23)24)7-21(9-1-2-9)14(10)19-15(12)20-4-3-8(18)6-20/h5,7-9H,1-4,6,18H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition against DNA gyrase				J Med Chem 36: 871-82 (1993) Article DOI: 10.1021/jm00059a012 BindingDB Entry DOI: 10.7270/Q22R3VDP
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 16 (Homo sapiens (Human))	BDBM50029494 (2-Methyl-7-oxo-4,7-dihydro-thieno[3,2-b]pyridine-3...) Show SMILES COC(=O)c1c(C)sc2c(O)cc(nc12)C(O)=O Show InChI InChI=1S/C11H9NO5S/c1-4-7(11(16)17-2)8-9(18-4)6(13)3-5(12-8)10(14)15/h3H,1-2H3,(H,12,13)(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]- NGF binding to extracellular domain of p75 receptor				J Med Chem 38: 4439-45 (1995) BindingDB Entry DOI: 10.7270/Q2W37V9R
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50230842 (CHEMBL58226) Show SMILES OC(=O)c1cn(C2CC2)c2cc(C3=CCNCC3)c(F)cc2c1=O |t:13| Show InChI InChI=1S/C18H17FN2O3/c19-15-7-13-16(8-12(15)10-3-5-20-6-4-10)21(11-1-2-11)9-14(17(13)22)18(23)24/h3,7-9,11,20H,1-2,4-6H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of the gyrase mediated cleavage of supercoiled DNA				J Med Chem 36: 1964-70 (1993) Article DOI: 10.1021/jm00066a005 BindingDB Entry DOI: 10.7270/Q2F191XX
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50469847 (CHEMBL278648) Show SMILES CC1(CN)CCN(C1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 Show InChI InChI=1S/C19H22FN3O3/c1-19(9-21)4-5-22(10-19)16-7-15-12(6-14(16)20)17(24)13(18(25)26)8-23(15)11-2-3-11/h6-8,11H,2-5,9-10,21H2,1H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition against DNA gyrase				J Med Chem 36: 871-82 (1993) Article DOI: 10.1021/jm00059a012 BindingDB Entry DOI: 10.7270/Q22R3VDP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50339635 (1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbo...) Show SMILES Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR5 in human PBMC cells assessed as inhibition of CCL4-induced chemotaxis after 2 hrs trans-well migration assay				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 16 (Homo sapiens (Human))	BDBM50029496 (6-Amino-4-oxo-1,4-dihydro-quinoline-2-carboxylic a...) Show SMILES Nc1ccc2nc(cc(O)c2c1)C(O)=O Show InChI InChI=1S/C10H8N2O3/c11-5-1-2-7-6(3-5)9(13)4-8(12-7)10(14)15/h1-4H,11H2,(H,12,13)(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]- NGF binding to extracellular domain of p75 receptor				J Med Chem 38: 4439-45 (1995) BindingDB Entry DOI: 10.7270/Q2W37V9R
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50339626 (1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3-chloro-4-...) Show SMILES Oc1ccc(NC(=O)NC(=O)c2ccc3OCOc3c2)cc1Cl Show InChI InChI=1S/C15H11ClN2O5/c16-10-6-9(2-3-11(10)19)17-15(21)18-14(20)8-1-4-12-13(5-8)23-7-22-12/h1-6,19H,7H2,(H2,17,18,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50153034 ((3-Benzoyl-2,6-dihydroxy-phenyl)-phenyl-methanone ...) Show SMILES Oc1ccc(C(=O)c2ccccc2)c(O)c1C(=O)c1ccccc1 Show InChI InChI=1S/C20H14O4/c21-16-12-11-15(18(22)13-7-3-1-4-8-13)20(24)17(16)19(23)14-9-5-2-6-10-14/h1-12,21,24H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against ovine cyclooxygenase-1 (COX-1)				J Med Chem 47: 4875-80 (2004) Article DOI: 10.1021/jm049950b BindingDB Entry DOI: 10.7270/Q24X578J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50469850 (CHEMBL2110321) Show SMILES [H][C@@]1(CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1)[C@@H](C)N |r| Show InChI InChI=1S/C18H21FN4O3/c1-9(20)10-4-5-22(7-10)17-14(19)6-12-15(24)13(18(25)26)8-23(11-2-3-11)16(12)21-17/h6,8-11H,2-5,7,20H2,1H3,(H,25,26)/t9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition against DNA gyrase				J Med Chem 36: 871-82 (1993) Article DOI: 10.1021/jm00059a012 BindingDB Entry DOI: 10.7270/Q22R3VDP
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50469850 (CHEMBL2110321) Show SMILES [H][C@@]1(CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1)[C@@H](C)N |r| Show InChI InChI=1S/C18H21FN4O3/c1-9(20)10-4-5-22(7-10)17-14(19)6-12-15(24)13(18(25)26)8-23(11-2-3-11)16(12)21-17/h6,8-11H,2-5,7,20H2,1H3,(H,25,26)/t9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition against DNA gyrase				J Med Chem 36: 871-82 (1993) Article DOI: 10.1021/jm00059a012 BindingDB Entry DOI: 10.7270/Q22R3VDP
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50469844 (CHEMBL3350261) Show SMILES [H][C@@]1(CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1)[C@H](C)N |r| Show InChI InChI=1S/C18H21FN4O3/c1-9(20)10-4-5-22(7-10)17-14(19)6-12-15(24)13(18(25)26)8-23(11-2-3-11)16(12)21-17/h6,8-11H,2-5,7,20H2,1H3,(H,25,26)/t9-,10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition against DNA gyrase				J Med Chem 36: 871-82 (1993) Article DOI: 10.1021/jm00059a012 BindingDB Entry DOI: 10.7270/Q22R3VDP
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50230834 (ABBOTT-61827 | CHEBI:77581 | Ozex | Tosufloxacin |...) Show SMILES NC1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F Show InChI InChI=1S/C19H15F3N4O3/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of the gyrase mediated cleavage of supercoiled DNA				J Med Chem 36: 1964-70 (1993) Article DOI: 10.1021/jm00066a005 BindingDB Entry DOI: 10.7270/Q2F191XX
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50230839 (CHEMBL15087) Show SMILES NC1CCN(C1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 Show InChI InChI=1S/C17H18FN3O3/c18-13-5-11-14(6-15(13)20-4-3-9(19)7-20)21(10-1-2-10)8-12(16(11)22)17(23)24/h5-6,8-10H,1-4,7,19H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of the gyrase mediated cleavage of supercoiled DNA				J Med Chem 36: 1964-70 (1993) Article DOI: 10.1021/jm00066a005 BindingDB Entry DOI: 10.7270/Q2F191XX
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50230840 (CHEMBL293970) Show SMILES NC1CCC(=C1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 |c:4| Show InChI InChI=1S/C18H17FN2O3/c19-15-6-13-16(7-12(15)9-1-2-10(20)5-9)21(11-3-4-11)8-14(17(13)22)18(23)24/h5-8,10-11H,1-4,20H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of the gyrase mediated cleavage of supercoiled DNA				J Med Chem 36: 1964-70 (1993) Article DOI: 10.1021/jm00066a005 BindingDB Entry DOI: 10.7270/Q2F191XX
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50230833 (CHEMBL276583) Show SMILES NC1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 Show InChI InChI=1S/C16H17FN4O3/c17-12-5-10-13(22)11(16(23)24)7-21(9-1-2-9)14(10)19-15(12)20-4-3-8(18)6-20/h5,7-9H,1-4,6,18H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of the gyrase mediated cleavage of supercoiled DNA				J Med Chem 36: 1964-70 (1993) Article DOI: 10.1021/jm00066a005 BindingDB Entry DOI: 10.7270/Q2F191XX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50339635 (1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbo...) Show SMILES Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR4 in transfected in THP-1 cells assessed as inhibition of CCL17-induced chemotaxis after 2 hrs trans-well migration assay				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50339636 (1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...) Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR4 in transfected in THP-1 cells assessed as inhibition of CCL17-induced chemotaxis after 2 hrs trans-well migration assay				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50339635 (1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbo...) Show SMILES Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CXCR1 in human PMN cells assessed as inhibition of CXCL8-induced chemotaxis after 2 hrs trans-well migration assay				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50339636 (1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...) Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CXCR1 in human PMN cells assessed as inhibition of CXCL8-induced chemotaxis after 2 hrs trans-well migration assay				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50339636 (1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...) Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CXCR2 in human PMN cells assessed as inhibition of CXCL8-induced chemotaxis after 2 hrs trans-well migration assay				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Rattus norvegicus)	BDBM50339636 (1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...) Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in rat spleen cells assessed as inhibition of CCL2-induced chemotaxis				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50339637 (1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3-chlorophe...) Show SMILES NC(NC(=O)c1ccc2OCOc2c1)=Nc1cccc(Cl)c1 |w:14.16| Show InChI InChI=1S/C15H12ClN3O3/c16-10-2-1-3-11(7-10)18-15(17)19-14(20)9-4-5-12-13(6-9)22-8-21-12/h1-7H,8H2,(H3,17,18,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50339638 (5-(Benzo[d][1,3]dioxol-5-yl)-N-(3,4-dichlorophenyl...) Show SMILES Clc1ccc(Nc2noc(n2)-c2ccc3OCOc3c2)cc1Cl Show InChI InChI=1S/C15H9Cl2N3O3/c16-10-3-2-9(6-11(10)17)18-15-19-14(23-20-15)8-1-4-12-13(5-8)22-7-21-12/h1-6H,7H2,(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50339639 (1-(Benzo[d][1,3]dioxol-5-yl)-3-(3-chlorobenzoyl)ur...) Show SMILES Clc1cccc(c1)C(=O)NC(=O)Nc1ccc2OCOc2c1 Show InChI InChI=1S/C15H11ClN2O4/c16-10-3-1-2-9(6-10)14(19)18-15(20)17-11-4-5-12-13(7-11)22-8-21-12/h1-7H,8H2,(H2,17,18,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50339636 (1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...) Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR3 in eosinophil cells assessed as inhibition of CCL11-induced chemotaxis after 2 hrs trans-well migration assay				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50339636 (1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...) Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in eosinophil cells assessed as inhibition of CCL11-induced chemotaxis after 2 hrs trans-well migration assay				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50339636 (1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...) Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR5 in human PBMC cells assessed as inhibition of CCL5-induced chemotaxis after 2 hrs trans-well migration assay				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50339636 (1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...) Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR3 in human PBMC cells assessed as inhibition of CCL5-induced chemotaxis after 2 hrs trans-well migration assay				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 72 total )  |  Next  |  Last  >>

Jump to: