Compile Data Set for Download or QSAR

Found 95 hits with Last Name = 'gosselet' and Initial = 'f'   

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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568970 (CHEMBL4857546) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cc(nn4CCN4CCOCC4)C(C)(C)C)cc3)c2s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50568968 (CHEMBL4868797) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)c2s1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKC expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate preincubated ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568976 (CHEMBL4855511) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)c2s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM50568968 (CHEMBL4868797) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)c2s1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKB expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate preincubated ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568968 (CHEMBL4868797) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)c2s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568971 (CHEMBL4850439) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4ccc5OCCOc5c4)cc3)c2s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568972 (CHEMBL4854623) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4ccc(cc4)C(C)(C)C)cc3)c2s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568966 (CHEMBL4869396) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c2s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568979 (CHEMBL4865237) Show SMILES Fc1ccc(NC(=O)Cc2ccc(Nc3ncnc4cc(sc34)-c3ccc(OCCN4CCCC4)cc3)cc2)cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568967 (CHEMBL4871471) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cccc(c4)C#C)cc3)c2s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50568968 (CHEMBL4868797) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)c2s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	893	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Aurora A (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568964 (CHEMBL4875233) Show SMILES Cn1nc(cc1NC(=O)Cc1ccc(Nc2ncnc3ccsc23)cc1)C(C)(C)C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568973 (CHEMBL4850076) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4ccc(F)c(Cl)c4)cc3)c2s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568969 (CHEMBL4862448) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4nc(cs4)C(C)(C)C)cc3)c2s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50568968 (CHEMBL4868797) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)c2s1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Aurora B (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568965 (CHEMBL4870744) Show SMILES CC(C)(C)c1cc(NC(=O)Cc2ccc(Nc3ncnc4ccsc34)cc2)no1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568974 (CHEMBL4861104) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)NCc4cccc(F)c4)cc3)c2s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568962 (CHEMBL4878696) Show SMILES FC(F)(F)c1cccc(NC(=O)Cc2ccc(Nc3ncnc4ccsc34)cc2)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568975 (CHEMBL4864421) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cccnc4)cc3)c2s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50568968 (CHEMBL4868797) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)c2s1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CSF1R (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568963 (CHEMBL4848014) Show SMILES O=C(Cc1ccc(Nc2ncnc3ccsc23)cc1)Nc1cccc(c1)C#C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568960 (CHEMBL4848982) Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(Nc2ncnc3ccsc23)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568961 (CHEMBL4876517) Show SMILES O[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(Nc2ncnc3ccsc23)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50568968 (CHEMBL4868797) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)c2s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAP4K4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI InChI=1S/C14H15N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-8H,9-11H2,(H-,15,19)/q+1/p+1	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	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-TEV-tagged human AChE expressed in CHO-K1 cells using acetylthiocholine iodide as substrate measured for 6 mins by Ellm...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01748 BindingDB Entry DOI: 10.7270/Q29G5RQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50586078 (CHEMBL5084128) Show SMILES OC[C@H]1O[C@@H](OCCCc2ccc(O)c(\C=N\O)n2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-TEV-tagged human AChE expressed in CHO-K1 cells using acetylthiocholine iodide as substrate measured for 6 mins by Ellm...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01748 BindingDB Entry DOI: 10.7270/Q29G5RQN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50568968 (CHEMBL4868797) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)c2s1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.76E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50568968 (CHEMBL4868797) Show SMILES Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)c2s1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NEK2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568978 (CHEMBL4874063) Show SMILES COc1cc(cc(OC)c1OC)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4ccc(F)c(Cl)c4)cc3)c2s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50568977 (CHEMBL4856744) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4ccc(F)c(Cl)c4)cc3)c2s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113265 BindingDB Entry DOI: 10.7270/Q2SF30XG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50239371 (Atnaa | CHEBI:8354 | Duodote | Pralidoxime) Show SMILES C[n+]1ccccc1C=NO Show InChI InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-TEV-tagged human AChE expressed in CHO-K1 cells using acetylthiocholine iodide as substrate measured for 6 mins by Ellm...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01748 BindingDB Entry DOI: 10.7270/Q29G5RQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50586080 (CHEMBL5088176) Show SMILES OC[C@H]1O[C@@H](OCCCCc2cn(CCCCc3ccc(O)c(\C=N\O)n3)nn2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-TEV-tagged human AChE expressed in CHO-K1 cells using acetylthiocholine iodide as substrate measured for 6 mins by Ellm...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01748 BindingDB Entry DOI: 10.7270/Q29G5RQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50333779 (1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...) Show SMILES O=NCc1cc[n+](COC[n+]2ccc(CN=O)cc2)cc1 Show InChI InChI=1S/C14H16N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-8H,9-12H2/q+2	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	6.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-TEV-tagged human AChE expressed in CHO-K1 cells using acetylthiocholine iodide as substrate measured for 6 mins by Ellm...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01748 BindingDB Entry DOI: 10.7270/Q29G5RQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50586079 (CHEMBL5069796) Show SMILES OC[C@H]1O[C@@H](OCCCCc2cn(CCCc3ccc(O)c(\C=N\O)n3)nn2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-TEV-tagged human AChE expressed in CHO-K1 cells using acetylthiocholine iodide as substrate measured for 6 mins by Ellm...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01748 BindingDB Entry DOI: 10.7270/Q29G5RQN
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266530 (CHEMBL4092629) Show SMILES COc1ccc(Cc2nnc(SCc3c(F)cccc3F)n2-c2ccc(F)cc2)cc1OC Show InChI InChI=1S/C24H20F3N3O2S/c1-31-21-11-6-15(12-22(21)32-2)13-23-28-29-24(30(23)17-9-7-16(25)8-10-17)33-14-18-19(26)4-3-5-20(18)27/h3-12H,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50266530 (CHEMBL4092629) Show SMILES COc1ccc(Cc2nnc(SCc3c(F)cccc3F)n2-c2ccc(F)cc2)cc1OC Show InChI InChI=1S/C24H20F3N3O2S/c1-31-21-11-6-15(12-22(21)32-2)13-23-28-29-24(30(23)17-9-7-16(25)8-10-17)33-14-18-19(26)4-3-5-20(18)27/h3-12H,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	470	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at human TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266535 (CHEMBL4082345) Show SMILES CCn1c2nnc(SCc3ccc(cc3)C(F)(F)F)n2c2ccccc2c1=O Show InChI InChI=1S/C19H15F3N4OS/c1-2-25-16(27)14-5-3-4-6-15(14)26-17(25)23-24-18(26)28-11-12-7-9-13(10-8-12)19(20,21)22/h3-10H,2,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266536 (CHEMBL4085664 | US10323016, Example 1) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2ccccc2)n1-c1ccc(F)cc1 Show InChI InChI=1S/C25H24FN3O2S/c1-28(21-13-14-22(30-2)23(15-21)31-3)24-16-27-25(32-17-18-7-5-4-6-8-18)29(24)20-11-9-19(26)10-12-20/h4-16H,17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	68	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266537 (CHEMBL4075688 | US10323016, Example 3) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2ccccc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C25H23F2N3O2S/c1-29(20-12-13-22(31-2)23(14-20)32-3)24-15-28-25(30(24)19-10-8-18(26)9-11-19)33-16-17-6-4-5-7-21(17)27/h4-15H,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266538 (CHEMBL4084668 | US10323016, Example 4) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C25H22F3N3O2S/c1-30(18-11-12-22(32-2)23(13-18)33-3)24-14-29-25(31(24)17-9-7-16(26)8-10-17)34-15-19-20(27)5-4-6-21(19)28/h4-14H,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266540 (CHEMBL4102610 | US10323016, Example 12) Show SMILES COc1ccc(cc1OC)N(C)c1nnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C24H21F3N4O2S/c1-30(17-11-12-21(32-2)22(13-17)33-3)23-28-29-24(31(23)16-9-7-15(25)8-10-16)34-14-18-19(26)5-4-6-20(18)27/h4-13H,14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50266541 (CHEMBL4069569) Show SMILES COC(=O)CCc1nc(SCc2c(F)cccc2F)n(c1N(C)c1ccc(OC)c(OC)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H28F3N3O4S/c1-34(20-12-14-25(37-2)26(16-20)38-3)28-24(13-15-27(36)39-4)33-29(35(28)19-10-8-18(30)9-11-19)40-17-21-22(31)6-5-7-23(21)32/h5-12,14,16H,13,15,17H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at human TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50266542 (CHEMBL4098315) Show SMILES COc1ccc(cc1OC)N(C)c1c(CCCCN)nc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C29H31F3N4O2S/c1-35(21-14-15-26(37-2)27(17-21)38-3)28-25(9-4-5-16-33)34-29(36(28)20-12-10-19(30)11-13-20)39-18-22-23(31)7-6-8-24(22)32/h6-8,10-15,17H,4-5,9,16,18,33H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.50E+3	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at human TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50266543 (CHEMBL4080290) Show SMILES COc1ccc(cc1OC)N(C)c1c(C)nc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C26H24F3N3O2S/c1-16-25(31(2)19-12-13-23(33-3)24(14-19)34-4)32(18-10-8-17(27)9-11-18)26(30-16)35-15-20-21(28)6-5-7-22(20)29/h5-14H,15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	337	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at human TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50266544 (CHEMBL4060410) Show SMILES N.COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(OCCCS(O)(=O)=O)cc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C28H28F3N3O6S2/c1-33(20-9-10-25(38-2)26(13-20)39-3)27-16-32-28(34(27)19-7-5-18(29)6-8-19)41-17-22-23(30)14-21(15-24(22)31)40-11-4-12-42(35,36)37/h5-10,13-16H,4,11-12,17H2,1-3H3,(H,35,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at human TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50266545 (CHEMBL4078612) Show SMILES [O-]C=O.COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(OCCC[N+]34CCN(CC3)CC4)cc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C34H39F3N5O3S/c1-39(26-9-10-31(43-2)32(19-26)44-3)33-22-38-34(41(33)25-7-5-24(35)6-8-25)46-23-28-29(36)20-27(21-30(28)37)45-18-4-14-42-15-11-40(12-16-42)13-17-42/h5-10,19-22H,4,11-18,23H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	238	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at human TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266552 (CHEMBL4094487 | US10323016, Example 20) Show SMILES COc1cc(ccc1F)-n1c(SCc2c(F)cccc2F)ncc1N(C)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C26H24F3N3O3S/c1-31(16-9-11-22(33-2)24(12-16)35-4)25-14-30-26(36-15-18-19(27)6-5-7-20(18)28)32(25)17-8-10-21(29)23(13-17)34-3/h5-14H,15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266556 (CHEMBL4073081 | US10323016, Example 5) Show SMILES COc1cc(ccc1Cl)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C24H19ClF3N3OS/c1-30(17-10-11-19(25)22(12-17)32-2)23-13-29-24(31(23)16-8-6-15(26)7-9-16)33-14-18-20(27)4-3-5-21(18)28/h3-13H,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266557 (CHEMBL4063932 | US10323016, Example 16) Show SMILES COc1cccc(c1)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C24H20F3N3OS/c1-29(18-5-3-6-19(13-18)31-2)23-14-28-24(30(23)17-11-9-16(25)10-12-17)32-15-20-21(26)7-4-8-22(20)27/h3-14H,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	91	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair

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