Compile Data Set for Download or QSAR

Found 711 hits with Last Name = 'bauer' and Initial = 'r'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160194 (3-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-2,3-dihydr...) Show SMILES Brc1ccccc1\C=C1/CCn2c1nc1ccccc1c2=N Show InChI InChI=1S/C18H14BrN3/c19-15-7-3-1-5-12(15)11-13-9-10-22-17(20)14-6-2-4-8-16(14)21-18(13)22/h1-8,11,20H,9-10H2/b13-11+,20-17?	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160192 (8-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-7,8-dihydr...) Show SMILES Brc1ccccc1\C=C1/CCn2c1nc1sccc1c2=N Show InChI InChI=1S/C16H12BrN3S/c17-13-4-2-1-3-10(13)9-11-5-7-20-14(18)12-6-8-21-16(12)19-15(11)20/h1-4,6,8-9,18H,5,7H2/b11-9+,18-14?	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160172 (3-[1-(2-Chloro-phenyl)-meth-(E)-ylidene]-2,3-dihyd...) Show SMILES Clc1ccccc1\C=C1/CCn2c1nc1ccccc1c2=N Show InChI InChI=1S/C18H14ClN3/c19-15-7-3-1-5-12(15)11-13-9-10-22-17(20)14-6-2-4-8-16(14)21-18(13)22/h1-8,11,20H,9-10H2/b13-11+,20-17?	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160173 (3-[1-(2-Iodo-phenyl)-meth-(E)-ylidene]-2,3-dihydro...) Show SMILES Ic1ccccc1\C=C1/CCn2c1nc1ccccc1c2=N Show InChI InChI=1S/C18H14IN3/c19-15-7-3-1-5-12(15)11-13-9-10-22-17(20)14-6-2-4-8-16(14)21-18(13)22/h1-8,11,20H,9-10H2/b13-11+,20-17?	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160188 (3-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-1,2,3,9-te...) Show SMILES Brc1ccccc1\C=C1/CCN2Cc3ccccc3N=C12 |t:21| Show InChI InChI=1S/C18H15BrN2/c19-16-7-3-1-5-13(16)11-14-9-10-21-12-15-6-2-4-8-17(15)20-18(14)21/h1-8,11H,9-10,12H2/b14-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160193 (3-[1-(2-Chloro-phenyl)-meth-(E)-ylidene]-1,2,3,9-t...) Show SMILES Clc1ccccc1\C=C1/CCN2Cc3ccccc3N=C12 |t:21| Show InChI InChI=1S/C18H15ClN2/c19-16-7-3-1-5-13(16)11-14-9-10-21-12-15-6-2-4-8-17(15)20-18(14)21/h1-8,11H,9-10,12H2/b14-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160171 (3-[1-(2-Chloro-phenyl)-meth-(E)-ylidene]-1-ethyl-1...) Show SMILES CCC1C\C(=C/c2ccccc2Cl)C2=Nc3ccccc3CN12 |t:14| Show InChI InChI=1S/C20H19ClN2/c1-2-17-12-16(11-14-7-3-5-9-18(14)21)20-22-19-10-6-4-8-15(19)13-23(17)20/h3-11,17H,2,12-13H2,1H3/b16-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160195 (3-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-1-butyl-1,...) Show SMILES CCCCC1C\C(=C/c2ccccc2Br)C2=Nc3ccccc3CN12 |t:16| Show InChI InChI=1S/C22H23BrN2/c1-2-3-10-19-14-18(13-16-8-4-6-11-20(16)23)22-24-21-12-7-5-9-17(21)15-25(19)22/h4-9,11-13,19H,2-3,10,14-15H2,1H3/b18-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160179 (8-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-2,3-dimeth...) Show SMILES Cc1sc2nc3\C(CCn3c(=N)c2c1C)=C\c1ccccc1Br Show InChI InChI=1S/C18H16BrN3S/c1-10-11(2)23-18-15(10)16(20)22-8-7-13(17(22)21-18)9-12-5-3-4-6-14(12)19/h3-6,9,20H,7-8H2,1-2H3/b13-9+,20-16?	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160167 (8-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-2,3-dimeth...) Show SMILES Cc1oc2nc3\C(CCn3c(=N)c2c1C)=C\c1ccccc1Br Show InChI InChI=1S/C18H16BrN3O/c1-10-11(2)23-18-15(10)16(20)22-8-7-13(17(22)21-18)9-12-5-3-4-6-14(12)19/h3-6,9,20H,7-8H2,1-2H3/b13-9+,20-16?	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160190 (8-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-3-cyclopro...) Show SMILES Brc1ccccc1\C=C1/CCn2c1nc1scc(C3CC3)c1c2=N Show InChI InChI=1S/C19H16BrN3S/c20-15-4-2-1-3-12(15)9-13-7-8-23-17(21)16-14(11-5-6-11)10-24-19(16)22-18(13)23/h1-4,9-11,21H,5-8H2/b13-9+,21-17?	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160170 (CHEMBL360560 | [3-[1-(2-Bromo-phenyl)-meth-(E)-yli...) Show SMILES C\N=c1/n2CC\C(=C/c3ccccc3Br)c2nc2ccccc12 Show InChI InChI=1S/C19H16BrN3/c1-21-19-15-7-3-5-9-17(15)22-18-14(10-11-23(18)19)12-13-6-2-4-8-16(13)20/h2-9,12H,10-11H2,1H3/b14-12+,21-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160180 (1-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-2,3,5,6,7,...) Show SMILES Brc1ccccc1\C=C1/CCn2c1nc1sc3CCCCc3c1c2=N Show InChI InChI=1S/C20H18BrN3S/c21-15-7-3-1-5-12(15)11-13-9-10-24-18(22)17-14-6-2-4-8-16(14)25-20(17)23-19(13)24/h1,3,5,7,11,22H,2,4,6,8-10H2/b13-11+,22-18?	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160168 (3-[1-(2-Ethyl-phenyl)-meth-(E)-ylidene]-2,3-dihydr...) Show SMILES CCc1ccccc1\C=C1/CCn2c1nc1ccccc1c2=N Show InChI InChI=1S/C20H19N3/c1-2-14-7-3-4-8-15(14)13-16-11-12-23-19(21)17-9-5-6-10-18(17)22-20(16)23/h3-10,13,21H,2,11-12H2,1H3/b16-13+,21-19?	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160187 (3-[1-(3,4-Dichloro-phenyl)-meth-(E)-ylidene]-1,2,3...) Show SMILES Clc1ccc(\C=C2/CCN3Cc4ccccc4N=C23)cc1Cl |t:18| Show InChI InChI=1S/C18H14Cl2N2/c19-15-6-5-12(10-16(15)20)9-13-7-8-22-11-14-3-1-2-4-17(14)21-18(13)22/h1-6,9-10H,7-8,11H2/b13-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160182 (9-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-8,9-dihydr...) Show SMILES Brc1ccccc1\C=C1/CCn2c1nc1ncccc1c2=N Show InChI InChI=1S/C17H13BrN4/c18-14-6-2-1-4-11(14)10-12-7-9-22-15(19)13-5-3-8-20-16(13)21-17(12)22/h1-6,8,10,19H,7,9H2/b12-10+,19-15?	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50410084 (CHEMBL2113024) Show SMILES Nc1n2CCC(=Cc3ccccc3Br)c2nc2ncnc12 |w:6.6| Show InChI InChI=1S/C15H12BrN5/c16-11-4-2-1-3-9(11)7-10-5-6-21-13(17)12-14(19-8-18-12)20-15(10)21/h1-4,7-8H,5-6,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160174 (3-[1-(2-Chloro-4-fluoro-phenyl)-meth-(E)-ylidene]-...) Show SMILES Fc1ccc(\C=C2/CCN3Cc4ccccc4N=C23)c(Cl)c1 |t:18| Show InChI InChI=1S/C18H14ClFN2/c19-16-10-15(20)6-5-12(16)9-13-7-8-22-11-14-3-1-2-4-17(14)21-18(13)22/h1-6,9-10H,7-8,11H2/b13-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160191 (8-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-3-tert-but...) Show SMILES CC(C)(C)c1csc2nc3\C(CCn3c(=N)c12)=C\c1ccccc1Br Show InChI InChI=1S/C20H20BrN3S/c1-20(2,3)14-11-25-19-16(14)17(22)24-9-8-13(18(24)23-19)10-12-6-4-5-7-15(12)21/h4-7,10-11,22H,8-9H2,1-3H3/b13-10+,22-17?	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160177 (3-[1-(2-Fluoro-phenyl)-meth-(E)-ylidene]-1,2,3,9-t...) Show SMILES Fc1ccccc1\C=C1/CCN2Cc3ccccc3N=C12 |t:21| Show InChI InChI=1S/C18H15FN2/c19-16-7-3-1-5-13(16)11-14-9-10-21-12-15-6-2-4-8-17(15)20-18(14)21/h1-8,11H,9-10,12H2/b14-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160169 (3-[1-(2-Ethyl-phenyl)-meth-(E)-ylidene]-1,2,3,9-te...) Show SMILES CCc1ccccc1\C=C1/CCN2Cc3ccccc3N=C12 |t:22| Show InChI InChI=1S/C20H20N2/c1-2-15-7-3-4-8-16(15)13-17-11-12-22-14-18-9-5-6-10-19(18)21-20(17)22/h3-10,13H,2,11-12,14H2,1H3/b17-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160189 (CHEMBL434151 | {3-Chloro-4-[1,2-dihydro-9H-pyrrolo...) Show SMILES CN(C)c1ccc(\C=C2/CCN3Cc4ccccc4N=C23)c(Cl)c1 |t:20| Show InChI InChI=1S/C20H20ClN3/c1-23(2)17-8-7-14(18(21)12-17)11-15-9-10-24-13-16-5-3-4-6-19(16)22-20(15)24/h3-8,11-12H,9-10,13H2,1-2H3/b15-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160184 (3-[1-(2-Trifluoromethyl-phenyl)-meth-(E)-ylidene]-...) Show SMILES FC(F)(F)c1ccccc1\C=C1/CCN2Cc3ccccc3N=C12 |t:24| Show InChI InChI=1S/C19H15F3N2/c20-19(21,22)16-7-3-1-5-13(16)11-14-9-10-24-12-15-6-2-4-8-17(15)23-18(14)24/h1-8,11H,9-10,12H2/b14-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160186 (3-[1-(2,4-Dichloro-phenyl)-meth-(E)-ylidene]-1,2,3...) Show SMILES Clc1ccc(\C=C2/CCN3Cc4ccccc4N=C23)c(Cl)c1 |t:18| Show InChI InChI=1S/C18H14Cl2N2/c19-15-6-5-12(16(20)10-15)9-13-7-8-22-11-14-3-1-2-4-17(14)21-18(13)22/h1-6,9-10H,7-8,11H2/b13-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160166 (3-[1-(2,6-Dichloro-phenyl)-meth-(E)-ylidene]-1,2,3...) Show SMILES Clc1cccc(Cl)c1\C=C1/CCN2Cc3ccccc3N=C12 |t:22| Show InChI InChI=1S/C18H14Cl2N2/c19-15-5-3-6-16(20)14(15)10-12-8-9-22-11-13-4-1-2-7-17(13)21-18(12)22/h1-7,10H,8-9,11H2/b12-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160176 (3-[1-Biphenyl-2-yl-meth-(E)-ylidene]-1,2,3,9-tetra...) Show SMILES C1C\C(=C/c2ccccc2-c2ccccc2)C2=Nc3ccccc3CN12 |t:18| Show InChI InChI=1S/C24H20N2/c1-2-8-18(9-3-1)22-12-6-4-10-19(22)16-20-14-15-26-17-21-11-5-7-13-23(21)25-24(20)26/h1-13,16H,14-15,17H2/b20-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160178 (3-[1-(2-Trifluoromethoxy-phenyl)-meth-(E)-ylidene]...) Show SMILES FC(F)(F)Oc1ccccc1\C=C1/CCN2Cc3ccccc3N=C12 |t:25| Show InChI InChI=1S/C19H15F3N2O/c20-19(21,22)25-17-8-4-2-5-13(17)11-14-9-10-24-12-15-6-1-3-7-16(15)23-18(14)24/h1-8,11H,9-10,12H2/b14-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160185 (3-[1-(4-Methoxy-phenyl)-meth-(E)-ylidene]-2,3-dihy...) Show SMILES COc1ccc(\C=C2/CCn3c2nc2ccccc2c3=N)cc1 Show InChI InChI=1S/C19H17N3O/c1-23-15-8-6-13(7-9-15)12-14-10-11-22-18(20)16-4-2-3-5-17(16)21-19(14)22/h2-9,12,20H,10-11H2,1H3/b14-12+,20-18?	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160183 (3-[1-(2-Ethoxy-phenyl)-meth-(E)-ylidene]-1,2,3,9-t...) Show SMILES CCOc1ccccc1\C=C1/CCN2Cc3ccccc3N=C12 |t:23| Show InChI InChI=1S/C20H20N2O/c1-2-23-19-10-6-4-7-15(19)13-16-11-12-22-14-17-8-3-5-9-18(17)21-20(16)22/h3-10,13H,2,11-12,14H2,1H3/b16-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160175 (3-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-2,3-dihydr...) Show SMILES Brc1ccccc1\C=C1/CCn2c1nc1ccccc1\c2=N\C#N Show InChI InChI=1S/C19H13BrN4/c20-16-7-3-1-5-13(16)11-14-9-10-24-18(14)23-17-8-4-2-6-15(17)19(24)22-12-21/h1-8,11H,9-10H2/b14-11+,22-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50160196 (3-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-1-(4-fluor...) Show SMILES Fc1ccc(cc1)C1C\C(=C/c2ccccc2Br)C2=Nc3ccccc3CN12 |t:20| Show InChI InChI=1S/C24H18BrFN2/c25-21-7-3-1-5-17(21)13-19-14-23(16-9-11-20(26)12-10-16)28-15-18-6-2-4-8-22(18)27-24(19)28/h1-13,23H,14-15H2/b19-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH and Co. KG Curated by ChEMBL					Assay Description Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane				Bioorg Med Chem Lett 15: 669-73 (2005) Article DOI: 10.1016/j.bmcl.2004.11.039 BindingDB Entry DOI: 10.7270/Q2NV9HS2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM603024 (1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...) Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M90DKW
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM600744 (US11629156, Example 12) Show SMILES CC[C@H](N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2MK6HT9
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113476 (CHEMBL3603923 | US10246432, Example 17 | US1058411...) Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Cresset Curated by ChEMBL					Assay Description Inhibition of mGLU5 (unknown origin)				J Med Chem 62: 3036-3050 (2019) Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50391946 (CHEMBL2147763) Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2ccccc12 Show InChI InChI=1S/C23H23N3O3/c1-28-20-7-6-17-22(27)21(12-15-13-25-19-5-3-2-4-16(15)19)29-23(17)18(20)14-26-10-8-24-9-11-26/h2-7,12-13,24-25H,8-11,14H2,1H3/b21-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cresset Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				J Med Chem 62: 3036-3050 (2019) Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50335827 ((6R,12aR)6-(2,4-Dichlorophenyl)-2-ethyl-2,3,6,7,12...) Show SMILES CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C22H19Cl2N3O2/c1-2-26-11-19(28)27-18(22(26)29)10-15-13-5-3-4-6-17(13)25-20(15)21(27)14-8-7-12(23)9-16(14)24/h3-9,18,21,25H,2,10-11H2,1H3/t18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay				J Med Chem 54: 495-509 (2011) Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50391948 (CHEMBL2147767) Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2ncccc12 |w:19.22| Show InChI InChI=1S/C22H22N4O3/c1-28-18-5-4-16-20(27)19(11-14-12-25-22-15(14)3-2-6-24-22)29-21(16)17(18)13-26-9-7-23-8-10-26/h2-6,11-12,23H,7-10,13H2,1H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cresset Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				J Med Chem 62: 3036-3050 (2019) Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50505077 (CHEMBL4588064) Show SMILES OCCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C16H14F3IN2O3/c17-11-4-3-10(16(24)22-25-7-1-6-23)15(14(11)19)21-13-5-2-9(20)8-12(13)18/h2-5,8,21,23H,1,6-7H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cresset Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin)				J Med Chem 62: 3036-3050 (2019) Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50335827 ((6R,12aR)6-(2,4-Dichlorophenyl)-2-ethyl-2,3,6,7,12...) Show SMILES CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C22H19Cl2N3O2/c1-2-26-11-19(28)27-18(22(26)29)10-15-13-5-3-4-6-17(13)25-20(15)21(27)14-8-7-12(23)9-16(14)24/h3-9,18,21,25H,2,10-11H2,1H3/t18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay				J Med Chem 54: 495-509 (2011) Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM497343 (7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...) Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.49	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2MK6HT9
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM497343 (7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...) Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.49	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M90DKW
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM497343 (7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...) Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.49	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...				US Patent US11001596 (2021) BindingDB Entry DOI: 10.7270/Q21V5J2Z
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM497343 (7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...) Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.76	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2MK6HT9
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM497343 (7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...) Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.76	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...				US Patent US11001596 (2021) BindingDB Entry DOI: 10.7270/Q21V5J2Z
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM497343 (7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...) Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.76	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M90DKW
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM14777 ((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...) Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay				J Med Chem 54: 495-509 (2011) Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50391938 (CHEMBL2147845) Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1n[nH]c2ccccc12 Show InChI InChI=1S/C22H22N4O3/c1-28-19-7-6-15-21(27)20(12-18-14-4-2-3-5-17(14)24-25-18)29-22(15)16(19)13-26-10-8-23-9-11-26/h2-7,12,23H,8-11,13H2,1H3,(H,24,25)/b20-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cresset Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				J Med Chem 62: 3036-3050 (2019) Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113472 (CHEMBL3603919 | US10246432, Example 2 | US10584111...) Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-c1ccccn1)C#N Show InChI InChI=1S/C16H9ClN4/c17-13-6-11(9-18)5-12(7-13)15-8-16(21-10-20-15)14-3-1-2-4-19-14/h1-8,10H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Cresset Curated by ChEMBL					Assay Description Inhibition of mGLU5 (unknown origin)				J Med Chem 62: 3036-3050 (2019) Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM497335 (7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...) Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	3.71	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M90DKW
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM497335 (7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...) Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	3.71	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2MK6HT9
					More data for this Ligand-Target Pair

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