Compile Data Set for Download or QSAR

Found 13 hits of kd for UniProtKB: P51161   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gastrotropin (Homo sapiens)	BDBM14324 (5,6-dimethyl-1H-1,3-benzodiazol-2-amine | Fragment...) Show SMILES Cc1cc2nc(N)[nH]c2cc1C Show InChI InChI=1S/C9H11N3/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a
Takeda Cambridge Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP6 expressed in Escherichia coli NEB cells by 2 site binding model based surf...				J Med Chem 59: 8094-102 (2016) Article DOI: 10.1021/acs.jmedchem.6b00869 BindingDB Entry DOI: 10.7270/Q2W099D6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gastrotropin (Homo sapiens)	BDBM50383377 (CHEMBL2030560 | US10544104, Compound 92 | US976503...) Show SMILES Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C14H11N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a
Takeda Cambridge Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP6 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...				J Med Chem 59: 8094-102 (2016) Article DOI: 10.1021/acs.jmedchem.6b00869 BindingDB Entry DOI: 10.7270/Q2W099D6
					More data for this Ligand-Target Pair
Gastrotropin (Homo sapiens)	BDBM14324 (5,6-dimethyl-1H-1,3-benzodiazol-2-amine | Fragment...) Show SMILES Cc1cc2nc(N)[nH]c2cc1C Show InChI InChI=1S/C9H11N3/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	2.94E+4	n/a	n/a	n/a	n/a	n/a
Takeda Cambridge Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP6 expressed in Escherichia coli NEB cells by 1 site binding model based surf...				J Med Chem 59: 8094-102 (2016) Article DOI: 10.1021/acs.jmedchem.6b00869 BindingDB Entry DOI: 10.7270/Q2W099D6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gastrotropin (Homo sapiens)	BDBM14324 (5,6-dimethyl-1H-1,3-benzodiazol-2-amine | Fragment...) Show SMILES Cc1cc2nc(N)[nH]c2cc1C Show InChI InChI=1S/C9H11N3/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a
Takeda Cambridge Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP6 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...				J Med Chem 59: 8094-102 (2016) Article DOI: 10.1021/acs.jmedchem.6b00869 BindingDB Entry DOI: 10.7270/Q2W099D6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gastrotropin (Homo sapiens)	BDBM50534543 (CHEMBL4555681) Show SMILES Fc1ccc2OCCNC(=O)c2c1 Show InChI InChI=1S/C9H8FNO2/c10-6-1-2-8-7(5-6)9(12)11-3-4-13-8/h1-2,5H,3-4H2,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a
Takeda Cambridge Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP6 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...				J Med Chem 59: 8094-102 (2016) Article DOI: 10.1021/acs.jmedchem.6b00869 BindingDB Entry DOI: 10.7270/Q2W099D6
					More data for this Ligand-Target Pair
Gastrotropin (Homo sapiens)	BDBM50534539 (CHEMBL4454723) Show SMILES COC(=O)c1cscc1-c1ccc(o1)C(=O)N1CCOCC1 Show InChI InChI=1S/C15H15NO5S/c1-19-15(18)11-9-22-8-10(11)12-2-3-13(21-12)14(17)16-4-6-20-7-5-16/h2-3,8-9H,4-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a
Takeda Cambridge Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP6 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...				J Med Chem 59: 8094-102 (2016) Article DOI: 10.1021/acs.jmedchem.6b00869 BindingDB Entry DOI: 10.7270/Q2W099D6
					More data for this Ligand-Target Pair
Gastrotropin (Homo sapiens)	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a
Takeda Cambridge Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP6 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...				J Med Chem 59: 8094-102 (2016) Article DOI: 10.1021/acs.jmedchem.6b00869 BindingDB Entry DOI: 10.7270/Q2W099D6
					More data for this Ligand-Target Pair
Gastrotropin (Homo sapiens)	BDBM50534544 (CHEMBL4587123) Show SMILES CN1CCN(CC1)C(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C18H20ClN3O2/c1-20-8-10-21(11-9-20)18(24)15-4-7-17(23)22(13-15)12-14-2-5-16(19)6-3-14/h2-7,13H,8-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a
Takeda Cambridge Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP6 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...				J Med Chem 59: 8094-102 (2016) Article DOI: 10.1021/acs.jmedchem.6b00869 BindingDB Entry DOI: 10.7270/Q2W099D6
					More data for this Ligand-Target Pair
Gastrotropin (Homo sapiens)	BDBM50534540 (CHEMBL4532670) Show SMILES O=C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccco1 Show InChI InChI=1S/C17H18N2O4/c20-17(15-2-1-9-21-15)19-7-5-18(6-8-19)11-13-3-4-14-16(10-13)23-12-22-14/h1-4,9-10H,5-8,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a
Takeda Cambridge Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP6 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...				J Med Chem 59: 8094-102 (2016) Article DOI: 10.1021/acs.jmedchem.6b00869 BindingDB Entry DOI: 10.7270/Q2W099D6
					More data for this Ligand-Target Pair
Gastrotropin (Homo sapiens)	BDBM50534537 (CHEMBL4576559) Show SMILES Cc1ccccc1CN1CCN(CC1)C(=O)c1cccnc1 Show InChI InChI=1S/C18H21N3O/c1-15-5-2-3-6-17(15)14-20-9-11-21(12-10-20)18(22)16-7-4-8-19-13-16/h2-8,13H,9-12,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.90E+5	n/a	n/a	n/a	n/a	n/a
Takeda Cambridge Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP6 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...				J Med Chem 59: 8094-102 (2016) Article DOI: 10.1021/acs.jmedchem.6b00869 BindingDB Entry DOI: 10.7270/Q2W099D6
					More data for this Ligand-Target Pair
Gastrotropin (Homo sapiens)	BDBM50534542 (CHEMBL391815) Show SMILES C(Nc1ccccn1)c1ccccc1 Show InChI InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a
Takeda Cambridge Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP6 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...				J Med Chem 59: 8094-102 (2016) Article DOI: 10.1021/acs.jmedchem.6b00869 BindingDB Entry DOI: 10.7270/Q2W099D6
					More data for this Ligand-Target Pair
Gastrotropin (Homo sapiens)	BDBM50534541 (CHEMBL4454549) Show SMILES CS(=O)(=O)N1CCCC(CC1)NCc1ccccc1 Show InChI InChI=1S/C14H22N2O2S/c1-19(17,18)16-10-5-8-14(9-11-16)15-12-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a
Takeda Cambridge Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP6 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...				J Med Chem 59: 8094-102 (2016) Article DOI: 10.1021/acs.jmedchem.6b00869 BindingDB Entry DOI: 10.7270/Q2W099D6
					More data for this Ligand-Target Pair
Gastrotropin (Homo sapiens)	BDBM50534538 (CHEMBL4439741) Show SMILES Cc1nc(Cn2cnc3cc(C)c(C)cc23)cs1 Show InChI InChI=1S/C14H15N3S/c1-9-4-13-14(5-10(9)2)17(8-15-13)6-12-7-18-11(3)16-12/h4-5,7-8H,6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a
Takeda Cambridge Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP6 expressed in Escherichia coli NEB cells by surface plasmon resonance metho...				J Med Chem 59: 8094-102 (2016) Article DOI: 10.1021/acs.jmedchem.6b00869 BindingDB Entry DOI: 10.7270/Q2W099D6
					More data for this Ligand-Target Pair