Compile Data Set for Download or QSAR

Found 423 hits with Last Name = 'halcomb' and Initial = 'rl'   

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
Beta-galactoside alpha-2,6-sialyltransferase 1 (Rattus norvegicus)	BDBM50310540 (((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)...) Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair				3D Structure (crystal)
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (Rattus norvegicus)	BDBM50310540 (((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)...) Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,3-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (Rattus norvegicus)	BDBM50366833 (CHEMBL608928) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C20H24N5O9P/c21-15-5-6-25(20(30)23-15)18-17(27)16(26)14(34-18)9-33-35(31,32)24-13(19(28)29)7-10-8-22-12-4-2-1-3-11(10)12/h1-6,8,13-14,16-18,22,26-27H,7,9H2,(H,28,29)(H2,21,23,30)(H2,24,31,32)/t13-,14+,16+,17+,18?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,3-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1 (Rattus norvegicus)	BDBM50366837 (CHEMBL608619) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)OCC(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C11H16N3O10P/c12-6-1-2-14(11(19)13-6)10-9(18)8(17)5(24-10)3-22-25(20,21)23-4-7(15)16/h1-2,5,8-10,17-18H,3-4H2,(H,15,16)(H,20,21)(H2,12,13,19)/t5-,8-,9-,10?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (Rattus norvegicus)	BDBM50366837 (CHEMBL608619) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)OCC(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C11H16N3O10P/c12-6-1-2-14(11(19)13-6)10-9(18)8(17)5(24-10)3-22-25(20,21)23-4-7(15)16/h1-2,5,8-10,17-18H,3-4H2,(H,15,16)(H,20,21)(H2,12,13,19)/t5-,8-,9-,10?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,3-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1 (Rattus norvegicus)	BDBM50366833 (CHEMBL608928) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C20H24N5O9P/c21-15-5-6-25(20(30)23-15)18-17(27)16(26)14(34-18)9-33-35(31,32)24-13(19(28)29)7-10-8-22-12-4-2-1-3-11(10)12/h1-6,8,13-14,16-18,22,26-27H,7,9H2,(H,28,29)(H2,21,23,30)(H2,24,31,32)/t13-,14+,16+,17+,18?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (Rattus norvegicus)	BDBM50366832 (CHEMBL609516) Show SMILES CC(C)C[C@H](NP(O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O |r| Show InChI InChI=1S/C15H25N4O9P/c1-7(2)5-8(14(22)23)18-29(25,26)27-6-9-11(20)12(21)13(28-9)19-4-3-10(16)17-15(19)24/h3-4,7-9,11-13,20-21H,5-6H2,1-2H3,(H,22,23)(H2,16,17,24)(H2,18,25,26)/t8-,9+,11+,12+,13?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,3-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1 (Rattus norvegicus)	BDBM50366836 (CHEMBL610554) Show SMILES C[C@H](NP(O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O |r| Show InChI InChI=1S/C12H19N4O9P/c1-5(11(19)20)15-26(22,23)24-4-6-8(17)9(18)10(25-6)16-3-2-7(13)14-12(16)21/h2-3,5-6,8-10,17-18H,4H2,1H3,(H,19,20)(H2,13,14,21)(H2,15,22,23)/t5-,6+,8+,9+,10?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1 (Rattus norvegicus)	BDBM50366835 (CHEMBL609514) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C13H19N4O11P/c14-7-1-2-17(13(24)15-7)11-10(21)9(20)6(28-11)4-27-29(25,26)16-5(12(22)23)3-8(18)19/h1-2,5-6,9-11,20-21H,3-4H2,(H,18,19)(H,22,23)(H2,14,15,24)(H2,16,25,26)/t5-,6+,9+,10+,11?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (Rattus norvegicus)	BDBM50366836 (CHEMBL610554) Show SMILES C[C@H](NP(O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O |r| Show InChI InChI=1S/C12H19N4O9P/c1-5(11(19)20)15-26(22,23)24-4-6-8(17)9(18)10(25-6)16-3-2-7(13)14-12(16)21/h2-3,5-6,8-10,17-18H,4H2,1H3,(H,19,20)(H2,13,14,21)(H2,15,22,23)/t5-,6+,8+,9+,10?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,3-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (Rattus norvegicus)	BDBM50366834 (CHEMBL609800) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)N[C@@H](Cc3ccccc3)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C18H23N4O9P/c19-13-6-7-22(18(27)20-13)16-15(24)14(23)12(31-16)9-30-32(28,29)21-11(17(25)26)8-10-4-2-1-3-5-10/h1-7,11-12,14-16,23-24H,8-9H2,(H,25,26)(H2,19,20,27)(H2,21,28,29)/t11-,12+,14+,15+,16?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,3-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1 (Rattus norvegicus)	BDBM50366838 (CHEMBL609215) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)NCC(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C11H17N4O9P/c12-6-1-2-15(11(20)14-6)10-9(19)8(18)5(24-10)4-23-25(21,22)13-3-7(16)17/h1-2,5,8-10,18-19H,3-4H2,(H,16,17)(H2,12,14,20)(H2,13,21,22)/t5-,8-,9-,10?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1 (Rattus norvegicus)	BDBM50366832 (CHEMBL609516) Show SMILES CC(C)C[C@H](NP(O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O |r| Show InChI InChI=1S/C15H25N4O9P/c1-7(2)5-8(14(22)23)18-29(25,26)27-6-9-11(20)12(21)13(28-9)19-4-3-10(16)17-15(19)24/h3-4,7-9,11-13,20-21H,5-6H2,1-2H3,(H,22,23)(H2,16,17,24)(H2,18,25,26)/t8-,9+,11+,12+,13?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1 (Rattus norvegicus)	BDBM50366834 (CHEMBL609800) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)N[C@@H](Cc3ccccc3)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C18H23N4O9P/c19-13-6-7-22(18(27)20-13)16-15(24)14(23)12(31-16)9-30-32(28,29)21-11(17(25)26)8-10-4-2-1-3-5-10/h1-7,11-12,14-16,23-24H,8-9H2,(H,25,26)(H2,19,20,27)(H2,21,28,29)/t11-,12+,14+,15+,16?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (Rattus norvegicus)	BDBM50366835 (CHEMBL609514) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C13H19N4O11P/c14-7-1-2-17(13(24)15-7)11-10(21)9(20)6(28-11)4-27-29(25,26)16-5(12(22)23)3-8(18)19/h1-2,5-6,9-11,20-21H,3-4H2,(H,18,19)(H,22,23)(H2,14,15,24)(H2,16,25,26)/t5-,6+,9+,10+,11?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,3-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (Rattus norvegicus)	BDBM50366838 (CHEMBL609215) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)NCC(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C11H17N4O9P/c12-6-1-2-15(11(20)14-6)10-9(19)8(18)5(24-10)4-23-25(21,22)13-3-7(16)17/h1-2,5,8-10,18-19H,3-4H2,(H,16,17)(H2,12,14,20)(H2,13,21,22)/t5-,8-,9-,10?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,3-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50088301 ((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...) Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15| Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CCR7 (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50069756 (CHEMBL3407547 | Firsocostat | ND-630 | NDI-010976 ...) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCOCC1 |r| Show InChI InChI=1S/C28H31N3O8S/c1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H,33,34)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of ACC1 (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50069756 (CHEMBL3407547 | Firsocostat | ND-630 | NDI-010976 ...) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCOCC1 |r| Show InChI InChI=1S/C28H31N3O8S/c1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H,33,34)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of ACC2 (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50511117 (CHEMBL4557289) Show SMILES COc1cc(cc2n(cc(C)c12)C1CC1)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1cncc(c1)C(O)=O Show InChI InChI=1S/C33H31N3O6/c1-19-18-36(24-4-5-24)26-13-21(14-29(41-2)30(19)26)31(38)35-9-7-33(8-10-35)15-27(37)25-12-20(3-6-28(25)42-33)22-11-23(32(39)40)17-34-16-22/h3,6,11-14,16-18,24H,4-5,7-10,15H2,1-2H3,(H,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of ACC1 (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50511117 (CHEMBL4557289) Show SMILES COc1cc(cc2n(cc(C)c12)C1CC1)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1cncc(c1)C(O)=O Show InChI InChI=1S/C33H31N3O6/c1-19-18-36(24-4-5-24)26-13-21(14-29(41-2)30(19)26)31(38)35-9-7-33(8-10-35)15-27(37)25-12-20(3-6-28(25)42-33)22-11-23(32(39)40)17-34-16-22/h3,6,11-14,16-18,24H,4-5,7-10,15H2,1-2H3,(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of ACC2 (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
					More data for this Ligand-Target Pair
C-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50306033 (Cenicriviroc | TAK-652 | TBR-652) Show SMILES CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCC\C(=C/c2c1)C(=O)Nc1ccc(cc1)[S@@+]([O-])Cc1cncn1CCC |r,c:27| Show InChI InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CCR7 (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50306033 (Cenicriviroc | TAK-652 | TBR-652) Show SMILES CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCC\C(=C/c2c1)C(=O)Nc1ccc(cc1)[S@@+]([O-])Cc1cncn1CCC |r,c:27| Show InChI InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CCR2 (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C16H19F3N4O2/c1-8-2-3-23(8)15-20-12(16(17,18)19)5-13(21-15)22-6-10-9(4-14(24)25)11(10)7-22/h5,8-11H,2-4,6-7H2,1H3,(H,24,25)/t8-,9-,10-,11+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human KHK expressed in Escherichia coli in presence of NADPH				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50511118 (CHEMBL4456029) Show SMILES CCOc1cccnc1Cc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CCOC1 |r| Show InChI InChI=1S/C22H23N5O3/c1-2-30-20-4-3-6-24-19(20)9-15-8-16(11-23-10-15)21-25-12-17(13-26-21)22(28)27-18-5-7-29-14-18/h3-4,6,8,10-13,18H,2,5,7,9,14H2,1H3,(H,27,28)/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant FLAG-tagged human DGAT2 expressed in SF9 cells after 1 hr by TopCount assay				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50088301 ((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...) Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15| Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CCR2 (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50511112 (CHEMBL4567446) Show SMILES COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2 Show InChI InChI=1S/C28H30N4O5/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of ACC2 (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50511112 (CHEMBL4567446) Show SMILES COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2 Show InChI InChI=1S/C28H30N4O5/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of ACC1 (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448736 ((R)-2-pivalamido-4-((R)-3-(2-(5,6,7,8- | US1069667...) Show SMILES CC(C)(C)C(=O)N[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r| Show InChI InChI=1S/C23H36N4O3/c1-23(2,3)22(30)26-19(21(28)29)11-14-27-13-10-16(15-27)6-8-18-9-7-17-5-4-12-24-20(17)25-18/h7,9,16,19H,4-6,8,10-15H2,1-3H3,(H,24,25)(H,26,30)(H,28,29)/t16-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448743 ((S)-2-((tert-butoxycarbonyl)amino)-4- | US10696672...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r| Show InChI InChI=1S/C23H36N4O4/c1-23(2,3)31-22(30)26-19(21(28)29)11-14-27-13-10-16(15-27)6-8-18-9-7-17-5-4-12-24-20(17)25-18/h7,9,16,19H,4-6,8,10-15H2,1-3H3,(H,24,25)(H,26,30)(H,28,29)/t16-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448745 ((S)-2-benzamido-4-((R)-3-(2-(5,6,7,8- | US10696672...) Show SMILES OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H32N4O3/c30-24(20-5-2-1-3-6-20)28-22(25(31)32)13-16-29-15-12-18(17-29)8-10-21-11-9-19-7-4-14-26-23(19)27-21/h1-3,5-6,9,11,18,22H,4,7-8,10,12-17H2,(H,26,27)(H,28,30)(H,31,32)/t18-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448745 ((S)-2-benzamido-4-((R)-3-(2-(5,6,7,8- | US10696672...) Show SMILES OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H32N4O3/c30-24(20-5-2-1-3-6-20)28-22(25(31)32)13-16-29-15-12-18(17-29)8-10-21-11-9-19-7-4-14-26-23(19)27-21/h1-3,5-6,9,11,18,22H,4,7-8,10,12-17H2,(H,26,27)(H,28,30)(H,31,32)/t18-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448757 ((S)-2-(2,6-dimethylbenzamido)-4-((R)- | US10696672...) Show SMILES Cc1cccc(C)c1C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r| Show InChI InChI=1S/C27H36N4O3/c1-18-5-3-6-19(2)24(18)26(32)30-23(27(33)34)13-16-31-15-12-20(17-31)8-10-22-11-9-21-7-4-14-28-25(21)29-22/h3,5-6,9,11,20,23H,4,7-8,10,12-17H2,1-2H3,(H,28,29)(H,30,32)(H,33,34)/t20-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448759 ((R)-2-(2,6-dimethylbenzamido)-4-((R)- | US10696672...) Show SMILES Cc1cccc(C)c1C(=O)N[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r| Show InChI InChI=1S/C27H36N4O3/c1-18-5-3-6-19(2)24(18)26(32)30-23(27(33)34)13-16-31-15-12-20(17-31)8-10-22-11-9-21-7-4-14-28-25(21)29-22/h3,5-6,9,11,20,23H,4,7-8,10,12-17H2,1-2H3,(H,28,29)(H,30,32)(H,33,34)/t20-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448760 ((S)-2-(2-chloro-3-fluorobenzamido)-4- | US10696672...) Show SMILES OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(F)c1Cl |r| Show InChI InChI=1S/C25H30ClFN4O3/c26-22-19(4-1-5-20(22)27)24(32)30-21(25(33)34)11-14-31-13-10-16(15-31)6-8-18-9-7-17-3-2-12-28-23(17)29-18/h1,4-5,7,9,16,21H,2-3,6,8,10-15H2,(H,28,29)(H,30,32)(H,33,34)/t16-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448761 ((S)-2-(2,6-dichlorobenzamido)-4-((R)- | US10696672...) Show SMILES OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C25H30Cl2N4O3/c26-19-4-1-5-20(27)22(19)24(32)30-21(25(33)34)11-14-31-13-10-16(15-31)6-8-18-9-7-17-3-2-12-28-23(17)29-18/h1,4-5,7,9,16,21H,2-3,6,8,10-15H2,(H,28,29)(H,30,32)(H,33,34)/t16-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448766 (US10696672, Compound 7a | US11634418, Compound 7a) Show SMILES OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cc(cc1Cl)C#N |r| Show InChI InChI=1S/C26H29Cl2N5O3/c27-20-12-17(14-29)13-21(28)23(20)25(34)32-22(26(35)36)8-11-33-10-7-16(15-33)3-5-19-6-4-18-2-1-9-30-24(18)31-19/h4,6,12-13,16,22H,1-3,5,7-11,15H2,(H,30,31)(H,32,34)(H,35,36)/t16-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448767 (US10696672, Compound 7c | US11634418, Compound 7c) Show SMILES OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cc(cc1Cl)C#N |r| Show InChI InChI=1S/C26H29Cl2N5O3/c27-20-12-17(14-29)13-21(28)23(20)25(34)32-22(26(35)36)8-11-33-10-7-16(15-33)3-5-19-6-4-18-2-1-9-30-24(18)31-19/h4,6,12-13,16,22H,1-3,5,7-11,15H2,(H,30,31)(H,32,34)(H,35,36)/t16-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448768 ((S)-4-((R)-3-(2-(5,6,7,8-tetrahydro-1,8- | US10696...) Show SMILES OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C26H31F3N4O3/c27-26(28,29)21-6-2-1-5-20(21)24(34)32-22(25(35)36)12-15-33-14-11-17(16-33)7-9-19-10-8-18-4-3-13-30-23(18)31-19/h1-2,5-6,8,10,17,22H,3-4,7,9,11-16H2,(H,30,31)(H,32,34)(H,35,36)/t17-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448771 ((S)-4-((R)-3-(2-(5,6,7,8-tetrahydro-1,8- | US10696...) Show SMILES OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H31F3N4O3/c27-26(28,29)20-5-1-3-19(15-20)24(34)32-22(25(35)36)11-14-33-13-10-17(16-33)6-8-21-9-7-18-4-2-12-30-23(18)31-21/h1,3,5,7,9,15,17,22H,2,4,6,8,10-14,16H2,(H,30,31)(H,32,34)(H,35,36)/t17-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448772 ((S)-4-((R)-3-(2-(5,6,7,8-tetrahydro-1,8- | US10696...) Show SMILES OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C26H31F3N4O3/c27-26(28,29)20-7-4-19(5-8-20)24(34)32-22(25(35)36)12-15-33-14-11-17(16-33)3-9-21-10-6-18-2-1-13-30-23(18)31-21/h4-8,10,17,22H,1-3,9,11-16H2,(H,30,31)(H,32,34)(H,35,36)/t17-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448774 ((S)-2-(2,6-dichlorobenzamido)-4-((R)- | US10696672...) Show SMILES OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cc(OC(F)(F)F)ccc1Cl |r| Show InChI InChI=1S/C26H30ClF3N4O4/c27-21-8-7-19(38-26(28,29)30)14-20(21)24(35)33-22(25(36)37)10-13-34-12-9-16(15-34)3-5-18-6-4-17-2-1-11-31-23(17)32-18/h4,6-8,14,16,22H,1-3,5,9-13,15H2,(H,31,32)(H,33,35)(H,36,37)/t16-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448776 ((S)-2-(3-(3,5-dimethyl-1H-pyrazol-1- | US10696672,...) Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)C(=O)NC(CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r| Show InChI InChI=1S/C30H38N6O3/c1-20-17-21(2)36(34-20)26-7-3-5-24(18-26)29(37)33-27(30(38)39)13-16-35-15-12-22(19-35)8-10-25-11-9-23-6-4-14-31-28(23)32-25/h3,5,7,9,11,17-18,22,27H,4,6,8,10,12-16,19H2,1-2H3,(H,31,32)(H,33,37)(H,38,39)/t22-,27?/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448777 ((R)-2-(3-(3,5-dimethyl-1H-pyrazol-1- | US10696672,...) Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)C(=O)N[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r| Show InChI InChI=1S/C30H38N6O3/c1-20-17-21(2)36(34-20)26-7-3-5-24(18-26)29(37)33-27(30(38)39)13-16-35-15-12-22(19-35)8-10-25-11-9-23-6-4-14-31-28(23)32-25/h3,5,7,9,11,17-18,22,27H,4,6,8,10,12-16,19H2,1-2H3,(H,31,32)(H,33,37)(H,38,39)/t22-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448776 ((S)-2-(3-(3,5-dimethyl-1H-pyrazol-1- | US10696672,...) Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)C(=O)NC(CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r| Show InChI InChI=1S/C30H38N6O3/c1-20-17-21(2)36(34-20)26-7-3-5-24(18-26)29(37)33-27(30(38)39)13-16-35-15-12-22(19-35)8-10-25-11-9-23-6-4-14-31-28(23)32-25/h3,5,7,9,11,17-18,22,27H,4,6,8,10,12-16,19H2,1-2H3,(H,31,32)(H,33,37)(H,38,39)/t22-,27?/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448777 ((R)-2-(3-(3,5-dimethyl-1H-pyrazol-1- | US10696672,...) Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)C(=O)N[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r| Show InChI InChI=1S/C30H38N6O3/c1-20-17-21(2)36(34-20)26-7-3-5-24(18-26)29(37)33-27(30(38)39)13-16-35-15-12-22(19-35)8-10-25-11-9-23-6-4-14-31-28(23)32-25/h3,5,7,9,11,17-18,22,27H,4,6,8,10,12-16,19H2,1-2H3,(H,31,32)(H,33,37)(H,38,39)/t22-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448779 ((S)-2-(3-morpholinobenzamido)-4- | US10696672, Com...) Show SMILES OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)N1CCOCC1 |r| Show InChI InChI=1S/C29H39N5O4/c35-28(23-3-1-5-25(19-23)34-15-17-38-18-16-34)32-26(29(36)37)11-14-33-13-10-21(20-33)6-8-24-9-7-22-4-2-12-30-27(22)31-24/h1,3,5,7,9,19,21,26H,2,4,6,8,10-18,20H2,(H,30,31)(H,32,35)(H,36,37)/t21-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448782 ((S)-2-(isonicotinamido)-4-((R)-3-(2- | US10696672,...) Show SMILES OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccncc1 |r| Show InChI InChI=1S/C24H31N5O3/c30-23(19-7-12-25-13-8-19)28-21(24(31)32)10-15-29-14-9-17(16-29)3-5-20-6-4-18-2-1-11-26-22(18)27-20/h4,6-8,12-13,17,21H,1-3,5,9-11,14-16H2,(H,26,27)(H,28,30)(H,31,32)/t17-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448784 ((S)-2-(3,5-dichloroisonicotinamido)-4- | US1069667...) Show SMILES OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cncc1Cl |r| Show InChI InChI=1S/C24H29Cl2N5O3/c25-18-12-27-13-19(26)21(18)23(32)30-20(24(33)34)8-11-31-10-7-15(14-31)3-5-17-6-4-16-2-1-9-28-22(16)29-17/h4,6,12-13,15,20H,1-3,5,7-11,14H2,(H,28,29)(H,30,32)(H,33,34)/t15-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448785 ((R)-2-(3,5-dichloroisonicotinamido)-4- | US1069667...) Show SMILES OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cncc1Cl |r| Show InChI InChI=1S/C24H29Cl2N5O3/c25-18-12-27-13-19(26)21(18)23(32)30-20(24(33)34)8-11-31-10-7-15(14-31)3-5-17-6-4-16-2-1-9-28-22(16)29-17/h4,6,12-13,15,20H,1-3,5,7-11,14H2,(H,28,29)(H,30,32)(H,33,34)/t15-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair

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