Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'amodeo' 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))	BDBM50518185 (CHEMBL4571977) Show SMILES CC(C)(O)c1ccc2OCc3ncccc3\C(=C\CCN3CC[C@](O)(c4ccc(Cl)cc4)C(C)(C)C3)c2c1 |r| Show InChI InChI=1S/C32H37ClN2O3/c1-30(2)21-35(18-15-32(30,37)22-9-12-24(33)13-10-22)17-6-8-25-26-7-5-16-34-28(26)20-38-29-14-11-23(19-27(25)29)31(3,4)36/h5,7-14,16,19,36-37H,6,15,17-18,20-21H2,1-4H3/b25-8-/t32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of chemotaxis after 30 mins by Celltiter-glo reagent based luminescence assay				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50056504 (CHEMBL3334824) Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of chemotaxis after 30 mins by Celltiter-glo reagent based luminescence assay				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518185 (CHEMBL4571977) Show SMILES CC(C)(O)c1ccc2OCc3ncccc3\C(=C\CCN3CC[C@](O)(c4ccc(Cl)cc4)C(C)(C)C3)c2c1 |r| Show InChI InChI=1S/C32H37ClN2O3/c1-30(2)21-35(18-15-32(30,37)22-9-12-24(33)13-10-22)17-6-8-25-26-7-5-16-34-28(26)20-38-29-14-11-23(19-27(25)29)31(3,4)36/h5,7-14,16,19,36-37H,6,15,17-18,20-21H2,1-4H3/b25-8-/t32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of chemotaxis after 30 mins by Celltiter-glo reagent based luminescence assay				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518184 (CHEMBL4444976) Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(-c2ncc[nH]2)c2cccnc12 Show InChI InChI=1S/C22H22ClN7O2/c1-32-18-13-15(4-5-17(18)23)28-9-11-29(12-10-28)19(31)14-30-22-16(3-2-6-26-22)20(27-30)21-24-7-8-25-21/h2-8,13H,9-12,14H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325334 ((S)-N-(3-(5-(2-(methylamino)-2-oxo-1-(tetrahydro-2...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(n2)C(F)(F)F)c1)C1CCOCC1 |r| Show InChI InChI=1S/C26H26F3N5O5/c1-30-24(37)21(16-8-11-38-12-9-16)34-23(36)20-6-5-19(39-20)17-4-2-3-15(13-17)14-32-22(35)18-7-10-31-25(33-18)26(27,28)29/h2-7,10,13,16,21H,8-9,11-12,14H2,1H3,(H,30,37)(H,32,35)(H,34,36)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325338 ((S)-N-(3-(5-(2-(methylamino)-2-oxo-1-(tetrahydro-2...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(n2)C(F)(F)F)c1)C1CCOCC1 |r| Show InChI InChI=1S/C27H27F3N4O5/c1-31-26(37)23(17-10-12-38-13-11-17)34-25(36)21-9-8-20(39-21)18-5-2-4-16(14-18)15-32-24(35)19-6-3-7-22(33-19)27(28,29)30/h2-9,14,17,23H,10-13,15H2,1H3,(H,31,37)(H,32,35)(H,34,36)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325342 ((R)-2-chloro-N-(3-(5-(1-cyclohexyl-2-(methylamino)...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(Cl)n2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C26H28ClN5O4/c1-28-25(35)22(17-7-3-2-4-8-17)32-24(34)21-11-10-20(36-21)18-9-5-6-16(14-18)15-30-23(33)19-12-13-29-26(27)31-19/h5-6,9-14,17,22H,2-4,7-8,15H2,1H3,(H,28,35)(H,30,33)(H,32,34)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50056504 (CHEMBL3334824) Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325347 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(C)n2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C28H32N4O4/c1-18-8-6-13-22(31-18)26(33)30-17-19-9-7-12-21(16-19)23-14-15-24(36-23)27(34)32-25(28(35)29-2)20-10-4-3-5-11-20/h6-9,12-16,20,25H,3-5,10-11,17H2,1-2H3,(H,29,35)(H,30,33)(H,32,34)/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518184 (CHEMBL4444976) Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(-c2ncc[nH]2)c2cccnc12 Show InChI InChI=1S/C22H22ClN7O2/c1-32-18-13-15(4-5-17(18)23)28-9-11-29(12-10-28)19(31)14-30-22-16(3-2-6-26-22)20(27-30)21-24-7-8-25-21/h2-8,13H,9-12,14H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of chemotaxis after 30 mins by Celltiter-glo reagent based luminescence assay				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325333 ((S)-N-(3-(5-(3-hydroxy-3-methyl-1-(methylamino)-1-...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(n2)C(F)(F)F)c1)C(C)(C)O |r| Show InChI InChI=1S/C24H24F3N5O5/c1-23(2,36)18(21(35)28-3)32-20(34)17-8-7-16(37-17)14-6-4-5-13(11-14)12-30-19(33)15-9-10-29-22(31-15)24(25,26)27/h4-11,18,36H,12H2,1-3H3,(H,28,35)(H,30,33)(H,32,34)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325340 ((S)-N-(3-(5-(3-methyl-1-(methylamino)-1-oxobutan-2...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(n2)C(F)(F)F)c1)C(C)C |r| Show InChI InChI=1S/C25H25F3N4O4/c1-14(2)21(24(35)29-3)32-23(34)19-11-10-18(36-19)16-7-4-6-15(12-16)13-30-22(33)17-8-5-9-20(31-17)25(26,27)28/h4-12,14,21H,13H2,1-3H3,(H,29,35)(H,30,33)(H,32,34)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325341 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(n2)C(F)(F)F)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H28F3N5O4/c1-31-25(38)22(17-7-3-2-4-8-17)35-24(37)21-11-10-20(39-21)18-9-5-6-16(14-18)15-33-23(36)19-12-13-32-26(34-19)27(28,29)30/h5-6,9-14,17,22H,2-4,7-8,15H2,1H3,(H,31,38)(H,33,36)(H,35,37)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325352 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2csc(C)n2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C26H30N4O4S/c1-16-29-20(15-35-16)24(31)28-14-17-7-6-10-19(13-17)21-11-12-22(34-21)25(32)30-23(26(33)27-2)18-8-4-3-5-9-18/h6-7,10-13,15,18,23H,3-5,8-9,14H2,1-2H3,(H,27,33)(H,28,31)(H,30,32)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325351 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccccn2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H30N4O4/c1-28-27(34)24(19-9-3-2-4-10-19)31-26(33)23-14-13-22(35-23)20-11-7-8-18(16-20)17-30-25(32)21-12-5-6-15-29-21/h5-8,11-16,19,24H,2-4,9-10,17H2,1H3,(H,28,34)(H,30,32)(H,31,33)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325336 ((S)-N-(3-(5-(3-methyl-1-(methylamino)-1-oxobutan-2...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(n2)C(F)(F)F)c1)C(C)C |r| Show InChI InChI=1S/C24H24F3N5O4/c1-13(2)19(22(35)28-3)32-21(34)18-8-7-17(36-18)15-6-4-5-14(11-15)12-30-20(33)16-9-10-29-23(31-16)24(25,26)27/h4-11,13,19H,12H2,1-3H3,(H,28,35)(H,30,33)(H,32,34)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325346 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(n2)C(F)(F)F)c1)C1CCCCC1 |r| Show InChI InChI=1S/C28H29F3N4O4/c1-32-27(38)24(18-8-3-2-4-9-18)35-26(37)22-14-13-21(39-22)19-10-5-7-17(15-19)16-33-25(36)20-11-6-12-23(34-20)28(29,30)31/h5-7,10-15,18,24H,2-4,8-9,16H2,1H3,(H,32,38)(H,33,36)(H,35,37)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325348 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccncn2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C26H29N5O4/c1-27-26(34)23(18-7-3-2-4-8-18)31-25(33)22-11-10-21(35-22)19-9-5-6-17(14-19)15-29-24(32)20-12-13-28-16-30-20/h5-6,9-14,16,18,23H,2-4,7-8,15H2,1H3,(H,27,34)(H,29,32)(H,31,33)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518200 (CHEMBL4436061) Show SMILES CCC[C@H](NC(=O)c1cnn(c1C)-c1ccc(Cl)cc1)c1cccc(c1F)C(F)(F)F |r| Show InChI InChI=1S/C22H20ClF4N3O/c1-3-5-19(16-6-4-7-18(20(16)24)22(25,26)27)29-21(31)17-12-28-30(13(17)2)15-10-8-14(23)9-11-15/h4,6-12,19H,3,5H2,1-2H3,(H,29,31)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325359 ((R)-N-(1-cyclohexyl-2-(methylamino)-2-oxoethyl)-5-...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccc(C)o2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H31N3O5/c1-17-11-12-22(34-17)25(31)29-16-18-7-6-10-20(15-18)21-13-14-23(35-21)26(32)30-24(27(33)28-2)19-8-4-3-5-9-19/h6-7,10-15,19,24H,3-5,8-9,16H2,1-2H3,(H,28,33)(H,29,31)(H,30,32)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518188 (CHEMBL4577357) Show SMILES CC[C@H](NC(=O)c1cnn(c1C)-c1ccc(Cl)cc1)c1cccc(c1F)C(F)(F)F |r| Show InChI InChI=1S/C21H18ClF4N3O/c1-3-18(15-5-4-6-17(19(15)23)21(24,25)26)28-20(30)16-11-27-29(12(16)2)14-9-7-13(22)8-10-14/h4-11,18H,3H2,1-2H3,(H,28,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518186 (CHEMBL4568048) Show SMILES CCCC(NC(=O)c1cnn(c1C)-c1ccc(Cl)cc1)c1cncc(c1)S(C)(=O)=O Show InChI InChI=1S/C21H23ClN4O3S/c1-4-5-20(15-10-18(12-23-11-15)30(3,28)29)25-21(27)19-13-24-26(14(19)2)17-8-6-16(22)7-9-17/h6-13,20H,4-5H2,1-3H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325355 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccn(C)n2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C26H31N5O4/c1-27-26(34)23(18-8-4-3-5-9-18)29-25(33)22-12-11-21(35-22)19-10-6-7-17(15-19)16-28-24(32)20-13-14-31(2)30-20/h6-7,10-15,18,23H,3-5,8-9,16H2,1-2H3,(H,27,34)(H,28,32)(H,29,33)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325337 ((S)-N-(3-(5-(3-hydroxy-3-methyl-1-(methylamino)-1-...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(n2)C(F)(F)F)c1)C(C)(C)O |r| Show InChI InChI=1S/C25H25F3N4O5/c1-24(2,36)20(23(35)29-3)32-22(34)18-11-10-17(37-18)15-7-4-6-14(12-15)13-30-21(33)16-8-5-9-19(31-16)25(26,27)28/h4-12,20,36H,13H2,1-3H3,(H,29,35)(H,30,33)(H,32,34)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325343 ((R)-2-chloro-N-(3-(5-(1-cyclohexyl-2-(methylamino)...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(Cl)c2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H29ClN4O4/c1-29-27(35)24(18-7-3-2-4-8-18)32-26(34)22-11-10-21(36-22)19-9-5-6-17(14-19)16-31-25(33)20-12-13-30-23(28)15-20/h5-6,9-15,18,24H,2-4,7-8,16H2,1H3,(H,29,35)(H,31,33)(H,32,34)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518164 (CHEMBL4513370) Show SMILES C[C@H](NC(=O)c1cnn(c1C)-c1ccc(Cl)cc1)c1cccc(c1F)C(F)(F)F |r| Show InChI InChI=1S/C20H16ClF4N3O/c1-11(15-4-3-5-17(18(15)22)20(23,24)25)27-19(29)16-10-26-28(12(16)2)14-8-6-13(21)7-9-14/h3-11H,1-2H3,(H,27,29)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325339 ((S)-N-(3-(5-(1-cyclopropyl-2-(methylamino)-2-oxoet...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(n2)C(F)(F)F)c1)C1CC1 |r| Show InChI InChI=1S/C25H23F3N4O4/c1-29-24(35)21(15-8-9-15)32-23(34)19-11-10-18(36-19)16-5-2-4-14(12-16)13-30-22(33)17-6-3-7-20(31-17)25(26,27)28/h2-7,10-12,15,21H,8-9,13H2,1H3,(H,29,35)(H,30,33)(H,32,34)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325344 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CCc1cncc(c1)C(=O)NCc1cccc(c1)-c1ccc(o1)C(=O)N[C@H](C1CCCCC1)C(=O)NC |r| Show InChI InChI=1S/C29H34N4O4/c1-3-19-14-23(18-31-16-19)27(34)32-17-20-8-7-11-22(15-20)24-12-13-25(37-24)28(35)33-26(29(36)30-2)21-9-5-4-6-10-21/h7-8,11-16,18,21,26H,3-6,9-10,17H2,1-2H3,(H,30,36)(H,32,34)(H,33,35)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325349 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccncc2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H30N4O4/c1-28-27(34)24(19-7-3-2-4-8-19)31-26(33)23-11-10-22(35-23)21-9-5-6-18(16-21)17-30-25(32)20-12-14-29-15-13-20/h5-6,9-16,19,24H,2-4,7-8,17H2,1H3,(H,28,34)(H,30,32)(H,31,33)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325335 ((S)-N-(3-(5-(1-cyclopropyl-2-(methylamino)-2-oxoet...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(n2)C(F)(F)F)c1)C1CC1 |r| Show InChI InChI=1S/C24H22F3N5O4/c1-28-22(35)19(14-5-6-14)32-21(34)18-8-7-17(36-18)15-4-2-3-13(11-15)12-30-20(33)16-9-10-29-23(31-16)24(25,26)27/h2-4,7-11,14,19H,5-6,12H2,1H3,(H,28,35)(H,30,33)(H,32,34)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50398338 (CHEMBL1628706) Show SMILES CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O |r| Show InChI InChI=1S/C26H31FN4O4/c1-26(2,35)11-10-17(24(28)33)14-23(32)21(13-16-6-5-7-18(27)12-16)31-25(34)22-15-29-19-8-3-4-9-20(19)30-22/h3-9,12,15,17,21,23,32,35H,10-11,13-14H2,1-2H3,(H2,28,33)(H,31,34)/t17-,21+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of chemotaxis after 30 mins by Celltiter-glo reagent based luminescence assay				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325350 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccnc2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H30N4O4/c1-28-27(34)24(19-8-3-2-4-9-19)31-26(33)23-13-12-22(35-23)20-10-5-7-18(15-20)16-30-25(32)21-11-6-14-29-17-21/h5-7,10-15,17,19,24H,2-4,8-9,16H2,1H3,(H,28,34)(H,30,32)(H,31,33)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518187 (CHEMBL4583870) Show SMILES CCCC(NC(=O)c1cnn(c1C)-c1ccc(Cl)cc1)c1ccc(nc1)S(C)(=O)=O Show InChI InChI=1S/C21H23ClN4O3S/c1-4-5-19(15-6-11-20(23-12-15)30(3,28)29)25-21(27)18-13-24-26(14(18)2)17-9-7-16(22)8-10-17/h6-13,19H,4-5H2,1-3H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50398338 (CHEMBL1628706) Show SMILES CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O |r| Show InChI InChI=1S/C26H31FN4O4/c1-26(2,35)11-10-17(24(28)33)14-23(32)21(13-16-6-5-7-18(27)12-16)31-25(34)22-15-29-19-8-3-4-9-20(19)30-22/h3-9,12,15,17,21,23,32,35H,10-11,13-14H2,1-2H3,(H2,28,33)(H,31,34)/t17-,21+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325354 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cc(C)n(C)n2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H33N5O4/c1-17-14-21(31-32(17)3)25(33)29-16-18-8-7-11-20(15-18)22-12-13-23(36-22)26(34)30-24(27(35)28-2)19-9-5-4-6-10-19/h7-8,11-15,19,24H,4-6,9-10,16H2,1-3H3,(H,28,35)(H,29,33)(H,30,34)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325360 ((R)-N-(1-cyclohexyl-2-(methylamino)-2-oxoethyl)-5-...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccco2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C26H29N3O5/c1-27-26(32)23(18-8-3-2-4-9-18)29-25(31)22-13-12-20(34-22)19-10-5-7-17(15-19)16-28-24(30)21-11-6-14-33-21/h5-7,10-15,18,23H,2-4,8-9,16H2,1H3,(H,27,32)(H,28,30)(H,29,31)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325345 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ncccc2C)c1)C1CCCCC1 |r| Show InChI InChI=1S/C28H32N4O4/c1-18-8-7-15-30-24(18)28(35)31-17-19-9-6-12-21(16-19)22-13-14-23(36-22)26(33)32-25(27(34)29-2)20-10-4-3-5-11-20/h6-9,12-16,20,25H,3-5,10-11,17H2,1-2H3,(H,29,34)(H,31,35)(H,32,33)/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325364 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cn3ccccc3n2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C29H31N5O4/c1-30-29(37)26(20-9-3-2-4-10-20)33-28(36)24-14-13-23(38-24)21-11-7-8-19(16-21)17-31-27(35)22-18-34-15-6-5-12-25(34)32-22/h5-8,11-16,18,20,26H,2-4,9-10,17H2,1H3,(H,30,37)(H,31,35)(H,33,36)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325362 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cn3cccc(C)c3n2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C30H33N5O4/c1-19-8-7-15-35-18-23(33-27(19)35)28(36)32-17-20-9-6-12-22(16-20)24-13-14-25(39-24)29(37)34-26(30(38)31-2)21-10-4-3-5-11-21/h6-9,12-16,18,21,26H,3-5,10-11,17H2,1-2H3,(H,31,38)(H,32,36)(H,34,37)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325353 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cnn(C)c2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C26H31N5O4/c1-27-26(34)23(18-8-4-3-5-9-18)30-25(33)22-12-11-21(35-22)19-10-6-7-17(13-19)14-28-24(32)20-15-29-31(2)16-20/h6-7,10-13,15-16,18,23H,3-5,8-9,14H2,1-2H3,(H,27,34)(H,28,32)(H,30,33)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325361 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cn3ccc(C)cc3n2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C30H33N5O4/c1-19-13-14-35-18-23(33-26(35)15-19)28(36)32-17-20-7-6-10-22(16-20)24-11-12-25(39-24)29(37)34-27(30(38)31-2)21-8-4-3-5-9-21/h6-7,10-16,18,21,27H,3-5,8-9,17H2,1-2H3,(H,31,38)(H,32,36)(H,34,37)/t27-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325358 ((R)-N-(1-cyclohexyl-2-(methylamino)-2-oxoethyl)-5-...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2occc2C)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H31N3O5/c1-17-13-14-34-24(17)27(33)29-16-18-7-6-10-20(15-18)21-11-12-22(35-21)25(31)30-23(26(32)28-2)19-8-4-3-5-9-19/h6-7,10-15,19,23H,3-5,8-9,16H2,1-2H3,(H,28,32)(H,29,33)(H,30,31)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325356 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2nccn2C)c1)C1CCCCC1 |r| Show InChI InChI=1S/C26H31N5O4/c1-27-25(33)22(18-8-4-3-5-9-18)30-24(32)21-12-11-20(35-21)19-10-6-7-17(15-19)16-29-26(34)23-28-13-14-31(23)2/h6-7,10-15,18,22H,3-5,8-9,16H2,1-2H3,(H,27,33)(H,29,34)(H,30,32)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325357 ((R)-N-(1-cyclohexyl-2-(methylamino)-2-oxoethyl)-5-...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccoc2C)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H31N3O5/c1-17-21(13-14-34-17)25(31)29-16-18-7-6-10-20(15-18)22-11-12-23(35-22)26(32)30-24(27(33)28-2)19-8-4-3-5-9-19/h6-7,10-15,19,24H,3-5,8-9,16H2,1-2H3,(H,28,33)(H,29,31)(H,30,32)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518173 (CHEMBL4456839) Show SMILES Cc1cc(C(=O)NCc2cccc(c2)C(F)(F)F)c(C)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H18ClF3N2O/c1-13-10-19(14(2)27(13)18-8-6-17(22)7-9-18)20(28)26-12-15-4-3-5-16(11-15)21(23,24)25/h3-11H,12H2,1-2H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518201 (CHEMBL4574870) Show SMILES CNS(=O)(=O)c1ccc(CNC(=O)c2cnn(c2C)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C19H19ClN4O3S/c1-13-18(12-23-24(13)16-7-5-15(20)6-8-16)19(25)22-11-14-3-9-17(10-4-14)28(26,27)21-2/h3-10,12,21H,11H2,1-2H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518163 (CHEMBL4539264) Show SMILES Cc1c(cnn1-c1ccc(Cl)c(Cl)c1)C(=O)NCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H14Cl2F3N3O/c1-11-15(10-26-27(11)14-5-6-16(20)17(21)8-14)18(28)25-9-12-3-2-4-13(7-12)19(22,23)24/h2-8,10H,9H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518182 (CHEMBL4440166) Show SMILES Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)NCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H15ClF3N3O/c1-12-17(11-25-26(12)16-7-5-15(20)6-8-16)18(27)24-10-13-3-2-4-14(9-13)19(21,22)23/h2-9,11H,10H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair

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