Compile Data Set for Download or QSAR

Found 214 hits with Last Name = 'myers' and Initial = 'pl'   

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
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50019492 ((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...) Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14| Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50019492 ((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...) Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14| Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225888 (CHEMBL61325) Show SMILES CC1(COc2ccccc2O1)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225888 (CHEMBL61325) Show SMILES CC1(COc2ccccc2O1)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225887 (CHEMBL61234) Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019492 ((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...) Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14| Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019492 ((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...) Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14| Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50019492 ((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...) Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14| Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225888 (CHEMBL61325) Show SMILES CC1(COc2ccccc2O1)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	449	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225888 (CHEMBL61325) Show SMILES CC1(COc2ccccc2O1)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	449	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225888 (CHEMBL61325) Show SMILES CC1(COc2ccccc2O1)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	487	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225887 (CHEMBL61234) Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019492 ((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...) Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14| Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	6.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225887 (CHEMBL61234) Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225887 (CHEMBL61234) Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225888 (CHEMBL61325) Show SMILES CC1(COc2ccccc2O1)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225887 (CHEMBL61234) Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.64E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225887 (CHEMBL61234) Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.64E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM21147 ((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against human Cholecystokinin type B receptor in CHO-K1 cells using [125I]-Bolton-Hunter CCK-8 as radioligand				J Med Chem 39: 3030-4 (1996) Article DOI: 10.1021/jm960205b BindingDB Entry DOI: 10.7270/Q26H4JPR
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375751 (CHEMBL256629) Show SMILES Cc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C23H27F3N4O2/c1-14-3-4-16(15(2)9-14)12-30-8-7-18(13-30)29-21(31)11-28-22(32)19-10-17(23(24,25)26)5-6-20(19)27/h3-6,9-10,18H,7-8,11-13,27H2,1-2H3,(H,28,32)(H,29,31)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375731 (CHEMBL271288) Show SMILES CCc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)cc1 Show InChI InChI=1S/C23H27F3N4O2/c1-2-15-3-5-16(6-4-15)13-30-10-9-18(14-30)29-21(31)12-28-22(32)19-11-17(23(24,25)26)7-8-20(19)27/h3-8,11,18H,2,9-10,12-14,27H2,1H3,(H,28,32)(H,29,31)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM21147 ((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against human Cholecystokinin type A receptor in membrane preparation isolated from CHO-K1 cells stably transfected with cDNA of hum...				J Med Chem 39: 3030-4 (1996) Article DOI: 10.1021/jm960205b BindingDB Entry DOI: 10.7270/Q26H4JPR
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375724 (CHEMBL271289) Show SMILES Nc1ccc(cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1)C(F)(F)F Show InChI InChI=1S/C21H22BrF3N4O2/c22-15-4-1-13(2-5-15)11-29-8-7-16(12-29)28-19(30)10-27-20(31)17-9-14(21(23,24)25)3-6-18(17)26/h1-6,9,16H,7-8,10-12,26H2,(H,27,31)(H,28,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375732 (CHEMBL271290) Show SMILES Cc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)cc1 Show InChI InChI=1S/C22H25F3N4O2/c1-14-2-4-15(5-3-14)12-29-9-8-17(13-29)28-20(30)11-27-21(31)18-10-16(22(23,24)25)6-7-19(18)26/h2-7,10,17H,8-9,11-13,26H2,1H3,(H,27,31)(H,28,30)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375751 (CHEMBL256629) Show SMILES Cc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C23H27F3N4O2/c1-14-3-4-16(15(2)9-14)12-30-8-7-18(13-30)29-21(31)11-28-22(32)19-10-17(23(24,25)26)5-6-20(19)27/h3-6,9-10,18H,7-8,11-13,27H2,1-2H3,(H,28,32)(H,29,31)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2b in THP1 cells				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375733 (CHEMBL404259) Show SMILES Nc1ccc(cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1)C(F)(F)F Show InChI InChI=1S/C21H22ClF3N4O2/c22-15-4-1-13(2-5-15)11-29-8-7-16(12-29)28-19(30)10-27-20(31)17-9-14(21(23,24)25)3-6-18(17)26/h1-6,9,16H,7-8,10-12,26H2,(H,27,31)(H,28,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375730 (CHEMBL257066) Show SMILES Nc1ccc(cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(C=C)cc2)C1)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O2/c1-2-15-3-5-16(6-4-15)13-30-10-9-18(14-30)29-21(31)12-28-22(32)19-11-17(23(24,25)26)7-8-20(19)27/h2-8,11,18H,1,9-10,12-14,27H2,(H,28,32)(H,29,31)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375728 (CHEMBL257062) Show SMILES Nc1cc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)ccc1Cl Show InChI InChI=1S/C21H23ClF3N5O2/c22-16-3-1-12(7-18(16)27)10-30-6-5-14(11-30)29-19(31)9-28-20(32)15-8-13(21(23,24)25)2-4-17(15)26/h1-4,7-8,14H,5-6,9-11,26-27H2,(H,28,32)(H,29,31)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2b in THP1 cells				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375729 (CHEMBL257064) Show SMILES Nc1ccc(cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1)C(F)(F)F Show InChI InChI=1S/C21H23F3N4O3/c22-21(23,24)14-3-6-18(25)17(9-14)20(31)26-10-19(30)27-15-7-8-28(12-15)11-13-1-4-16(29)5-2-13/h1-6,9,15,29H,7-8,10-12,25H2,(H,26,31)(H,27,30)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375722 (CHEMBL270435) Show SMILES COc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)cc1N Show InChI InChI=1S/C22H26F3N5O3/c1-33-19-5-2-13(8-18(19)27)11-30-7-6-15(12-30)29-20(31)10-28-21(32)16-9-14(22(23,24)25)3-4-17(16)26/h2-5,8-9,15H,6-7,10-12,26-27H2,1H3,(H,28,32)(H,29,31)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2b in THP1 cells				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375731 (CHEMBL271288) Show SMILES CCc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)cc1 Show InChI InChI=1S/C23H27F3N4O2/c1-2-15-3-5-16(6-4-15)13-30-10-9-18(14-30)29-21(31)12-28-22(32)19-11-17(23(24,25)26)7-8-20(19)27/h3-8,11,18H,2,9-10,12-14,27H2,1H3,(H,28,32)(H,29,31)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced calcium flux				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375744 (CHEMBL402723) Show SMILES Oc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H22F3N3O3/c22-21(23,24)16-3-1-2-15(10-16)20(30)25-11-19(29)26-17-8-9-27(13-17)12-14-4-6-18(28)7-5-14/h1-7,10,17,28H,8-9,11-13H2,(H,25,30)(H,26,29)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375727 (CHEMBL271725) Show SMILES Cc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)cc1N Show InChI InChI=1S/C22H26F3N5O2/c1-13-2-3-14(8-19(13)27)11-30-7-6-16(12-30)29-20(31)10-28-21(32)17-9-15(22(23,24)25)4-5-18(17)26/h2-5,8-9,16H,6-7,10-12,26-27H2,1H3,(H,28,32)(H,29,31)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2b in THP1 cells				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375745 (CHEMBL403281) Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(C=C)cc2)C1 Show InChI InChI=1S/C23H24F3N3O2/c1-2-16-6-8-17(9-7-16)14-29-11-10-20(15-29)28-21(30)13-27-22(31)18-4-3-5-19(12-18)23(24,25)26/h2-9,12,20H,1,10-11,13-15H2,(H,27,31)(H,28,30)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375751 (CHEMBL256629) Show SMILES Cc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C23H27F3N4O2/c1-14-3-4-16(15(2)9-14)12-30-8-7-18(13-30)29-21(31)11-28-22(32)19-10-17(23(24,25)26)5-6-20(19)27/h3-6,9-10,18H,7-8,11-13,27H2,1-2H3,(H,28,32)(H,29,31)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced calcium flux				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375722 (CHEMBL270435) Show SMILES COc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)cc1N Show InChI InChI=1S/C22H26F3N5O3/c1-33-19-5-2-13(8-18(19)27)11-30-7-6-15(12-30)29-20(31)10-28-21(32)16-9-14(22(23,24)25)3-4-17(16)26/h2-5,8-9,15H,6-7,10-12,26-27H2,1H3,(H,28,32)(H,29,31)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375755 (CHEMBL404269) Show SMILES COc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)cc1O Show InChI InChI=1S/C22H25F3N4O4/c1-33-19-5-2-13(8-18(19)30)11-29-7-6-15(12-29)28-20(31)10-27-21(32)16-9-14(22(23,24)25)3-4-17(16)26/h2-5,8-9,15,30H,6-7,10-12,26H2,1H3,(H,27,32)(H,28,31)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375747 (CHEMBL405633) Show SMILES CCc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C23H26F3N3O2/c1-2-16-6-8-17(9-7-16)14-29-11-10-20(15-29)28-21(30)13-27-22(31)18-4-3-5-19(12-18)23(24,25)26/h3-9,12,20H,2,10-11,13-15H2,1H3,(H,27,31)(H,28,30)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50036132 (15-chloromethyl-8-ethyl-8-hydroxy-(8S)-2,3,8,9,12,...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(CCl)c3Cn1c2=O Show InChI InChI=1S/C23H19ClN2O6/c1-2-23(29)15-6-17-20-13(9-26(17)21(27)14(15)10-32-22(23)28)12(8-24)11-5-18-19(7-16(11)25-20)31-4-3-30-18/h5-7,29H,2-4,8-10H2,1H3/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research Institute Curated by ChEMBL					Assay Description Inhibition of topoisomerase I activity was determined in vitro by using the cleavable complex assay(calf thymus)				J Med Chem 38: 395-401 (1995) BindingDB Entry DOI: 10.7270/Q2F47N67
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375728 (CHEMBL257062) Show SMILES Nc1cc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)ccc1Cl Show InChI InChI=1S/C21H23ClF3N5O2/c22-16-3-1-12(7-18(16)27)10-30-6-5-14(11-30)29-19(31)9-28-20(32)15-8-13(21(23,24)25)2-4-17(15)26/h1-4,7-8,14H,5-6,9-11,26-27H2,(H,28,32)(H,29,31)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375723 (CHEMBL257063) Show SMILES COc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)cc1 Show InChI InChI=1S/C22H25F3N4O3/c1-32-17-5-2-14(3-6-17)12-29-9-8-16(13-29)28-20(30)11-27-21(31)18-10-15(22(23,24)25)4-7-19(18)26/h2-7,10,16H,8-9,11-13,26H2,1H3,(H,27,31)(H,28,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375731 (CHEMBL271288) Show SMILES CCc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)cc1 Show InChI InChI=1S/C23H27F3N4O2/c1-2-15-3-5-16(6-4-15)13-30-10-9-18(14-30)29-21(31)12-28-22(32)19-11-17(23(24,25)26)7-8-20(19)27/h3-8,11,18H,2,9-10,12-14,27H2,1H3,(H,28,32)(H,29,31)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2b in THP1 cells				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375727 (CHEMBL271725) Show SMILES Cc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)cc1N Show InChI InChI=1S/C22H26F3N5O2/c1-13-2-3-14(8-19(13)27)11-30-7-6-16(12-30)29-20(31)10-28-21(32)17-9-15(22(23,24)25)4-5-18(17)26/h2-5,8-9,16H,6-7,10-12,26-27H2,1H3,(H,28,32)(H,29,31)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375734 (CHEMBL257065) Show SMILES Cc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H24F3N3O2/c1-15-5-7-16(8-6-15)13-28-10-9-19(14-28)27-20(29)12-26-21(30)17-3-2-4-18(11-17)22(23,24)25/h2-8,11,19H,9-10,12-14H2,1H3,(H,26,30)(H,27,29)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.4	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375756 (CHEMBL408908) Show SMILES Nc1cc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)ccc1O Show InChI InChI=1S/C21H24F3N5O3/c22-21(23,24)13-2-3-16(25)15(8-13)20(32)27-9-19(31)28-14-5-6-29(11-14)10-12-1-4-18(30)17(26)7-12/h1-4,7-8,14,30H,5-6,9-11,25-26H2,(H,27,32)(H,28,31)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2b in THP1 cells				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375721 (CHEMBL255209) Show SMILES COc1cc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)ccc1O Show InChI InChI=1S/C22H25F3N4O4/c1-33-19-8-13(2-5-18(19)30)11-29-7-6-15(12-29)28-20(31)10-27-21(32)16-9-14(22(23,24)25)3-4-17(16)26/h2-5,8-9,15,30H,6-7,10-12,26H2,1H3,(H,27,32)(H,28,31)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50036129 (14-chloromethyl-7-ethyl-7-hydroxy-(7S)-7,8,11,13-t...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(CCl)c3Cn1c2=O Show InChI InChI=1S/C22H17ClN2O6/c1-2-22(28)14-4-16-19-12(7-25(16)20(26)13(14)8-29-21(22)27)11(6-23)10-3-17-18(31-9-30-17)5-15(10)24-19/h3-5,28H,2,6-9H2,1H3/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research Institute Curated by ChEMBL					Assay Description Inhibition of topoisomerase I activity was determined in vitro by using the cleavable complex assay(calf thymus)				J Med Chem 38: 395-401 (1995) BindingDB Entry DOI: 10.7270/Q2F47N67
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50133112 ((R)-N-(2-(1-(2,4-dimethylbenzyl)pyrrolidin-3-ylami...) Show SMILES Cc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C23H26F3N3O2/c1-15-6-7-18(16(2)10-15)13-29-9-8-20(14-29)28-21(30)12-27-22(31)17-4-3-5-19(11-17)23(24,25)26/h3-7,10-11,20H,8-9,12-14H2,1-2H3,(H,27,31)(H,28,30)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375756 (CHEMBL408908) Show SMILES Nc1cc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)ccc1O Show InChI InChI=1S/C21H24F3N5O3/c22-21(23,24)13-2-3-16(25)15(8-13)20(32)27-9-19(31)28-14-5-6-29(11-14)10-12-1-4-18(30)17(26)7-12/h1-4,7-8,14,30H,5-6,9-11,25-26H2,(H,27,32)(H,28,31)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375730 (CHEMBL257066) Show SMILES Nc1ccc(cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(C=C)cc2)C1)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O2/c1-2-15-3-5-16(6-4-15)13-30-10-9-18(14-30)29-21(31)12-28-22(32)19-11-17(23(24,25)26)7-8-20(19)27/h2-8,11,18H,1,9-10,12-14,27H2,(H,28,32)(H,29,31)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2b in THP1 cells				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair

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