Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'o''brien' and Initial = 'l'   

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 1 (Homo sapiens (Human))	BDBM50208999 ((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O |r| Show InChI InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 in THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 3 hrs				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325723 ((R)-2-(4-(4-chlorobenzyl)-5-methyl-4H-1,2,4-triazo...) Show SMILES Cc1nnc([C@H]2CCCN2C(=O)Nc2ccc(cc2)C(F)(F)F)n1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H21ClF3N5O/c1-14-28-29-20(31(14)13-15-4-8-17(23)9-5-15)19-3-2-12-30(19)21(32)27-18-10-6-16(7-11-18)22(24,25)26/h4-11,19H,2-3,12-13H2,1H3,(H,27,32)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3-induced chemotaxis after 3 hrs				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325722 ((R)-2-(4-(4-chlorobenzyl)-4H-1,2,4-triazol-3-yl)-N...) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC[C@@H]2c2nncn2Cc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H19ClF3N5O/c22-16-7-3-14(4-8-16)12-29-13-26-28-19(29)18-2-1-11-30(18)20(31)27-17-9-5-15(6-10-17)21(23,24)25/h3-10,13,18H,1-2,11-12H2,(H,27,31)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3-induced chemotaxis after 3 hrs				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50208999 ((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O |r| Show InChI InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293055 ((R)-N2-(4-Chlorobenzyl)-N1-[2,6-dimethyl-4-(triflu...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1c(C)cc(cc1C)C(F)(F)F |r| Show InChI InChI=1S/C23H25ClF3N3O2/c1-14-11-17(23(25,26)27)12-15(2)20(14)28-22(32)30-10-4-5-19(30)21(31)29(3)13-16-6-8-18(24)9-7-16/h6-9,11-12,19H,4-5,10,13H2,1-3H3,(H,28,32)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 in THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 3 hrs				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325719 ((R)-2-(1-(4-chlorobenzyl)-1H-tetrazol-5-yl)-N-(4-(...) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC[C@@H]2c2nnnn2Cc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C20H18ClF3N6O/c21-15-7-3-13(4-8-15)12-30-18(26-27-28-30)17-2-1-11-29(17)19(31)25-16-9-5-14(6-10-16)20(22,23)24/h3-10,17H,1-2,11-12H2,(H,25,31)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3-induced chemotaxis after 3 hrs				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293055 ((R)-N2-(4-Chlorobenzyl)-N1-[2,6-dimethyl-4-(triflu...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1c(C)cc(cc1C)C(F)(F)F |r| Show InChI InChI=1S/C23H25ClF3N3O2/c1-14-11-17(23(25,26)27)12-15(2)20(14)28-22(32)30-10-4-5-19(30)21(31)29(3)13-16-6-8-18(24)9-7-16/h6-9,11-12,19H,4-5,10,13H2,1-3H3,(H,28,32)/t19-/m1/s1	PDB Reactome pathway 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
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325718 (2-(1-(4-chlorobenzyl)-1H-imidazol-2-yl)-N-(4-(trif...) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCCC2c2nccn2Cc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H20ClF3N4O/c23-17-7-3-15(4-8-17)14-29-13-11-27-20(29)19-2-1-12-30(19)21(31)28-18-9-5-16(6-10-18)22(24,25)26/h3-11,13,19H,1-2,12,14H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3-induced chemotaxis after 3 hrs				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293054 ((R)-N2-(4-Chlorobenzyl)-N2-methyl-N1-[2-methyl-4-(...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(cc1C)C(F)(F)F |r| Show InChI InChI=1S/C22H23ClF3N3O2/c1-14-12-16(22(24,25)26)7-10-18(14)27-21(31)29-11-3-4-19(29)20(30)28(2)13-15-5-8-17(23)9-6-15/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,27,31)/t19-/m1/s1	PDB Reactome pathway 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
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 in THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 3 hrs				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325722 ((R)-2-(4-(4-chlorobenzyl)-4H-1,2,4-triazol-3-yl)-N...) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC[C@@H]2c2nncn2Cc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H19ClF3N5O/c22-16-7-3-14(4-8-16)12-29-13-26-28-19(29)18-2-1-11-30(18)20(31)27-17-9-5-15(6-10-17)21(23,24)25/h3-10,13,18H,1-2,11-12H2,(H,27,31)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-MIP1alpha from human recombinant CCR1 expressed in HEK293 cells after 4 hrs by SPA				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325719 ((R)-2-(1-(4-chlorobenzyl)-1H-tetrazol-5-yl)-N-(4-(...) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC[C@@H]2c2nnnn2Cc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C20H18ClF3N6O/c21-15-7-3-13(4-8-15)12-30-18(26-27-28-30)17-2-1-11-29(17)19(31)25-16-9-5-14(6-10-16)20(22,23)24/h3-10,17H,1-2,11-12H2,(H,25,31)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-MIP1alpha from human recombinant CCR1 expressed in HEK293 cells after 4 hrs by SPA				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325720 ((R)-2-(1-(4-chlorobenzyl)-1H-1,2,4-triazol-5-yl)-N...) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC[C@@H]2c2ncnn2Cc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H19ClF3N5O/c22-16-7-3-14(4-8-16)12-30-19(26-13-27-30)18-2-1-11-29(18)20(31)28-17-9-5-15(6-10-17)21(23,24)25/h3-10,13,18H,1-2,11-12H2,(H,28,31)/t18-/m1/s1	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
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3-induced chemotaxis after 3 hrs				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293051 ((1S)-N1-(4-chlorobenzyl)-N1-methyl-N2-(4-(trifluor...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C21H21ClF3N3O2/c1-27(13-14-4-8-16(22)9-5-14)19(29)18-3-2-12-28(18)20(30)26-17-10-6-15(7-11-17)21(23,24)25/h4-11,18H,2-3,12-13H2,1H3,(H,26,30)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 in THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 3 hrs				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293053 ((R)-N2-(4-Chlorobenzyl)-N1-[2-fluoro-4-(trifluorom...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(cc1F)C(F)(F)F |r| Show InChI InChI=1S/C21H20ClF4N3O2/c1-28(12-13-4-7-15(22)8-5-13)19(30)18-3-2-10-29(18)20(31)27-17-9-6-14(11-16(17)23)21(24,25)26/h4-9,11,18H,2-3,10,12H2,1H3,(H,27,31)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 in THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 3 hrs				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293051 ((1S)-N1-(4-chlorobenzyl)-N1-methyl-N2-(4-(trifluor...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C21H21ClF3N3O2/c1-27(13-14-4-8-16(22)9-5-14)19(29)18-3-2-12-28(18)20(30)26-17-10-6-15(7-11-17)21(23,24)25/h4-11,18H,2-3,12-13H2,1H3,(H,26,30)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3-induced chemotaxis after 3 hrs				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293053 ((R)-N2-(4-Chlorobenzyl)-N1-[2-fluoro-4-(trifluorom...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(cc1F)C(F)(F)F |r| Show InChI InChI=1S/C21H20ClF4N3O2/c1-28(12-13-4-7-15(22)8-5-13)19(30)18-3-2-10-29(18)20(31)27-17-9-6-14(11-16(17)23)21(24,25)26/h4-9,11,18H,2-3,10,12H2,1H3,(H,27,31)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325720 ((R)-2-(1-(4-chlorobenzyl)-1H-1,2,4-triazol-5-yl)-N...) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC[C@@H]2c2ncnn2Cc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H19ClF3N5O/c22-16-7-3-14(4-8-16)12-30-19(26-13-27-30)18-2-1-11-29(18)20(31)28-17-9-5-15(6-10-17)21(23,24)25/h3-10,13,18H,1-2,11-12H2,(H,28,31)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-MIP1alpha from human recombinant CCR1 expressed in HEK293 cells after 4 hrs by SPA				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293052 ((R)-N2-(4-Chlorobenzyl)-N1-[2-chloro-4-(trifluorom...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(cc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C21H20Cl2F3N3O2/c1-28(12-13-4-7-15(22)8-5-13)19(30)18-3-2-10-29(18)20(31)27-17-9-6-14(11-16(17)23)21(24,25)26/h4-9,11,18H,2-3,10,12H2,1H3,(H,27,31)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 in THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 3 hrs				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293054 ((R)-N2-(4-Chlorobenzyl)-N2-methyl-N1-[2-methyl-4-(...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(cc1C)C(F)(F)F |r| Show InChI InChI=1S/C22H23ClF3N3O2/c1-14-12-16(22(24,25)26)7-10-18(14)27-21(31)29-11-3-4-19(29)20(30)28(2)13-15-5-8-17(23)9-6-15/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,27,31)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325718 (2-(1-(4-chlorobenzyl)-1H-imidazol-2-yl)-N-(4-(trif...) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCCC2c2nccn2Cc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H20ClF3N4O/c23-17-7-3-15(4-8-17)14-29-13-11-27-20(29)19-2-1-12-30(19)21(31)28-18-9-5-16(6-10-18)22(24,25)26/h3-11,13,19H,1-2,12,14H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-MIP1alpha from human recombinant CCR1 expressed in HEK293 cells after 4 hrs by SPA				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325723 ((R)-2-(4-(4-chlorobenzyl)-5-methyl-4H-1,2,4-triazo...) Show SMILES Cc1nnc([C@H]2CCCN2C(=O)Nc2ccc(cc2)C(F)(F)F)n1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H21ClF3N5O/c1-14-28-29-20(31(14)13-15-4-8-17(23)9-5-15)19-3-2-12-30(19)21(32)27-18-10-6-16(7-11-18)22(24,25)26/h4-11,19H,2-3,12-13H2,1H3,(H,27,32)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-MIP1alpha from human recombinant CCR1 expressed in HEK293 cells after 4 hrs by SPA				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293052 ((R)-N2-(4-Chlorobenzyl)-N1-[2-chloro-4-(trifluorom...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(cc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C21H20Cl2F3N3O2/c1-28(12-13-4-7-15(22)8-5-13)19(30)18-3-2-10-29(18)20(31)27-17-9-6-14(11-16(17)23)21(24,25)26/h4-9,11,18H,2-3,10,12H2,1H3,(H,27,31)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293051 ((1S)-N1-(4-chlorobenzyl)-N1-methyl-N2-(4-(trifluor...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C21H21ClF3N3O2/c1-27(13-14-4-8-16(22)9-5-14)19(29)18-3-2-12-28(18)20(30)26-17-10-6-15(7-11-17)21(23,24)25/h4-11,18H,2-3,12-13H2,1H3,(H,26,30)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-MIP1alpha from human recombinant CCR1 expressed in HEK293 cells after 4 hrs by SPA				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293051 ((1S)-N1-(4-chlorobenzyl)-N1-methyl-N2-(4-(trifluor...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C21H21ClF3N3O2/c1-27(13-14-4-8-16(22)9-5-14)19(29)18-3-2-12-28(18)20(30)26-17-10-6-15(7-11-17)21(23,24)25/h4-11,18H,2-3,12-13H2,1H3,(H,26,30)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293034 ((R)-N2-(4-Chlorobenzyl)-N1-(4-chlorophenyl)-N2-eth...) Show SMILES CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H23Cl2N3O2/c1-2-25(14-15-5-7-16(22)8-6-15)20(27)19-4-3-13-26(19)21(28)24-18-11-9-17(23)10-12-18/h5-12,19H,2-4,13-14H2,1H3,(H,24,28)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM519 ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University College Dublin Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 12: 1763-6 (2002) BindingDB Entry DOI: 10.7270/Q22R3S65
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293035 ((R)-N2-(4-Chlorobenzyl)-N1-(4-chlorophenyl)-N2-met...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H21Cl2N3O2/c1-24(13-14-4-6-15(21)7-5-14)19(26)18-3-2-12-25(18)20(27)23-17-10-8-16(22)9-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,23,27)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293049 ((R)-N2-(4-Chlorobenzyl)-N1-(4-methoxyphenyl)-N2-me...) Show SMILES COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H24ClN3O3/c1-24(14-15-5-7-16(22)8-6-15)20(26)19-4-3-13-25(19)21(27)23-17-9-11-18(28-2)12-10-17/h5-12,19H,3-4,13-14H2,1-2H3,(H,23,27)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University College Dublin Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 12: 1763-6 (2002) BindingDB Entry DOI: 10.7270/Q22R3S65
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293049 ((R)-N2-(4-Chlorobenzyl)-N1-(4-methoxyphenyl)-N2-me...) Show SMILES COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H24ClN3O3/c1-24(14-15-5-7-16(22)8-6-15)20(26)19-4-3-13-25(19)21(27)23-17-9-11-18(28-2)12-10-17/h5-12,19H,3-4,13-14H2,1-2H3,(H,23,27)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 in THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 3 hrs				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50061306 ((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...) Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
University College Dublin Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 12: 1763-6 (2002) BindingDB Entry DOI: 10.7270/Q22R3S65
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293059 ((R)-N2-(4-Chlorobenzyl)-N1-(4-chlorophenyl)-N2-(2-...) Show SMILES OCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H23Cl2N3O3/c22-16-5-3-15(4-6-16)14-25(12-13-27)20(28)19-2-1-11-26(19)21(29)24-18-9-7-17(23)8-10-18/h3-10,19,27H,1-2,11-14H2,(H,24,29)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293046 ((R)-N2-(4-Chlorobenzyl)-N2-methyl-N1-p-tolylpyrrol...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C)cc1 |r| Show InChI InChI=1S/C21H24ClN3O2/c1-15-5-11-18(12-6-15)23-21(27)25-13-3-4-19(25)20(26)24(2)14-16-7-9-17(22)10-8-16/h5-12,19H,3-4,13-14H2,1-2H3,(H,23,27)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293047 ((R)-N2-(4-Chlorobenzyl)-N1-(4-fluorophenyl)-N2-met...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21ClFN3O2/c1-24(13-14-4-6-15(21)7-5-14)19(26)18-3-2-12-25(18)20(27)23-17-10-8-16(22)9-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,23,27)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293048 ((R)-N2-(4-Chlorobenzyl)-N1-(4-cyanophenyl)-N2-meth...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(cc1)C#N |r| Show InChI InChI=1S/C21H21ClN4O2/c1-25(14-16-4-8-17(22)9-5-16)20(27)19-3-2-12-26(19)21(28)24-18-10-6-15(13-23)7-11-18/h4-11,19H,2-3,12,14H2,1H3,(H,24,28)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50325721 ((R)-2-(1-(4-chlorobenzyl)-3-methyl-1H-1,2,4-triazo...) Show SMILES Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(cc2)C(F)(F)F)n(Cc2ccc(Cl)cc2)n1 |r| Show InChI InChI=1S/C22H21ClF3N5O/c1-14-27-20(31(29-14)13-15-4-8-17(23)9-5-15)19-3-2-12-30(19)21(32)28-18-10-6-16(7-11-18)22(24,25)26/h4-11,19H,2-3,12-13H2,1H3,(H,28,32)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-MIP1alpha from human recombinant CCR1 expressed in HEK293 cells after 4 hrs by SPA				Bioorg Med Chem Lett 20: 5477-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.082 BindingDB Entry DOI: 10.7270/Q2319W3D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293041 ((R)-N2-(4-Fluorobenzyl)-N1-(4-chlorophenyl)-N2-met...) Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H21ClFN3O2/c1-24(13-14-4-8-16(22)9-5-14)19(26)18-3-2-12-25(18)20(27)23-17-10-6-15(21)7-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,23,27)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293050 ((R)-N2-(4-Chlorobenzyl)-N2-methyl-N1-(3-(trifluoro...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H21ClF3N3O2/c1-27(13-14-7-9-16(22)10-8-14)19(29)18-6-3-11-28(18)20(30)26-17-5-2-4-15(12-17)21(23,24)25/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,26,30)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293033 ((R)-N2-(4-Chlorobenzyl)-N1-(4-chlorophenyl)-N2-pro...) Show SMILES CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H25Cl2N3O2/c1-2-13-26(15-16-5-7-17(23)8-6-16)21(28)20-4-3-14-27(20)22(29)25-19-11-9-18(24)10-12-19/h5-12,20H,2-4,13-15H2,1H3,(H,25,29)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293044 ((R)-N2-(4-Chloro-3-methylbenzyl)-N1-(4-chloropheny...) Show SMILES CN(Cc1ccc(Cl)c(C)c1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H23Cl2N3O2/c1-14-12-15(5-10-18(14)23)13-25(2)20(27)19-4-3-11-26(19)21(28)24-17-8-6-16(22)7-9-17/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,24,28)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50114971 (CHEMBL294938 | [(3R,5R,6R)-4-Benzyloxy-5-hydroxy-6...) Show SMILES CO[C@@H]1OC(CNC(=O)OCc2ccccc2)[C@@H](Oc2ccc(OC)cc2)C(OCc2ccccc2)[C@H]1O Show InChI InChI=1S/C29H33NO8/c1-33-22-13-15-23(16-14-22)37-26-24(17-30-29(32)36-19-21-11-7-4-8-12-21)38-28(34-2)25(31)27(26)35-18-20-9-5-3-6-10-20/h3-16,24-28,31H,17-19H2,1-2H3,(H,30,32)/t24?,25-,26-,27?,28-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College Dublin Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 12: 1763-6 (2002) BindingDB Entry DOI: 10.7270/Q22R3S65
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50114968 (((3R,5R,6R)-4-Benzyloxy-3,5-dihydroxy-6-methoxy-te...) Show SMILES CO[C@@H]1OC(CNC(=O)OCc2ccccc2)[C@@H](O)C(OCc2ccccc2)[C@H]1O Show InChI InChI=1S/C22H27NO7/c1-27-21-19(25)20(28-13-15-8-4-2-5-9-15)18(24)17(30-21)12-23-22(26)29-14-16-10-6-3-7-11-16/h2-11,17-21,24-25H,12-14H2,1H3,(H,23,26)/t17?,18-,19-,20?,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College Dublin Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 12: 1763-6 (2002) BindingDB Entry DOI: 10.7270/Q22R3S65
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293045 ((2R)-N1-(4-Chlorophenyl)-N2-[1-(4-chlorophenyl)eth...) Show SMILES CC(N(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H23Cl2N3O2/c1-14(15-5-7-16(22)8-6-15)25(2)20(27)19-4-3-13-26(19)21(28)24-18-11-9-17(23)10-12-18/h5-12,14,19H,3-4,13H2,1-2H3,(H,24,28)/t14?,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50114970 ((6R,7R,8aR)-8-Benzyloxy-6-methoxy-2-phenyl-hexahyd...) Show SMILES CO[C@@H]1OC2COC(O[C@H]2C(OCc2ccccc2)[C@H]1O)c1ccccc1 Show InChI InChI=1S/C21H24O6/c1-23-21-17(22)19(24-12-14-8-4-2-5-9-14)18-16(26-21)13-25-20(27-18)15-10-6-3-7-11-15/h2-11,16-22H,12-13H2,1H3/t16?,17-,18-,19?,20?,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College Dublin Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 12: 1763-6 (2002) BindingDB Entry DOI: 10.7270/Q22R3S65
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293042 ((R)-N2-(4-Methylbenzyl)-N1-(4-chlorophenyl)-N2-met...) Show SMILES CN(Cc1ccc(C)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H24ClN3O2/c1-15-5-7-16(8-6-15)14-24(2)20(26)19-4-3-13-25(19)21(27)23-18-11-9-17(22)10-12-18/h5-12,19H,3-4,13-14H2,1-2H3,(H,23,27)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50114969 (CHEMBL51564 | N-[(3R,5R,6R)-4-Benzyloxy-5-hydroxy-...) Show SMILES CO[C@@H]1OC(CNC(C)=O)[C@@H](Oc2ccc(OC)cc2)C(OCc2ccccc2)[C@H]1O Show InChI InChI=1S/C23H29NO7/c1-15(25)24-13-19-21(30-18-11-9-17(27-2)10-12-18)22(20(26)23(28-3)31-19)29-14-16-7-5-4-6-8-16/h4-12,19-23,26H,13-14H2,1-3H3,(H,24,25)/t19?,20-,21-,22?,23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College Dublin Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 12: 1763-6 (2002) BindingDB Entry DOI: 10.7270/Q22R3S65
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50114965 (CHEMBL52487 | N-((3S,5R,6S)-3,4,5-Trihydroxy-6-phe...) Show SMILES CC(=O)NCC1O[C@@H](Oc2ccccc2)[C@@H](O)C(O)[C@@H]1O Show InChI InChI=1S/C14H19NO6/c1-8(16)15-7-10-11(17)12(18)13(19)14(21-10)20-9-5-3-2-4-6-9/h2-6,10-14,17-19H,7H2,1H3,(H,15,16)/t10?,11-,12?,13+,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College Dublin Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 12: 1763-6 (2002) BindingDB Entry DOI: 10.7270/Q22R3S65
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293038 ((R)-N2-(4-Cyanobenzyl)-N1-(4-chlorophenyl)-N2-meth...) Show SMILES CN(Cc1ccc(cc1)C#N)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H21ClN4O2/c1-25(14-16-6-4-15(13-23)5-7-16)20(27)19-3-2-12-26(19)21(28)24-18-10-8-17(22)9-11-18/h4-11,19H,2-3,12,14H2,1H3,(H,24,28)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293058 ((S)-N2-(4-Chlorobenzyl)-N2-methyl-N1-[4-(trifluoro...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C21H21ClF3N3O2/c1-27(13-14-4-8-16(22)9-5-14)19(29)18-3-2-12-28(18)20(30)26-17-10-6-15(7-11-17)21(23,24)25/h4-11,18H,2-3,12-13H2,1H3,(H,26,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50293056 (CHEMBL515927 | N2-(4-Chlorobenzyl)-N2-methyl-N1-[4...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)C1CCCCN1C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H23ClF3N3O2/c1-28(14-15-5-9-17(23)10-6-15)20(30)19-4-2-3-13-29(19)21(31)27-18-11-7-16(8-12-18)22(24,25)26/h5-12,19H,2-4,13-14H2,1H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
					More data for this Ligand-Target Pair

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