Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Cytohesin-3'   

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
Cytohesin-3 (Homo sapiens (Human))	BDBM112785 (US8628961, DM-PIT-1) Show SMILES Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1cc(ccc1O)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O4S/c1-9-5-10(2)7-11(6-9)15(21)18-16(24)17-13-8-12(19(22)23)3-4-14(13)20/h3-8,20H,1-2H3,(H2,17,18,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.55E+4	n/a	n/a	n/a	n/a	7.5	25
Tufts University; Council of Scientific and Industrial Research US Patent					Assay Description In order to identify compounds that disrupt the interaction between PIP3 and PH domains, a high-throughput fluorescence polarization (FP)-binding ass...				US Patent US8628961 (2014) BindingDB Entry DOI: 10.7270/Q2MG7N5S
					More data for this Ligand-Target Pair
Cytohesin-3 (Homo sapiens (Human))	BDBM50013327 (CHEMBL3263343) Show SMILES OC(=O)c1cc(n[nH]1)P(O)(O)=O Show InChI InChI=1S/C4H5N2O5P/c7-4(8)2-1-3(6-5-2)12(9,10)11/h1H,(H,5,6)(H,7,8)(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sookmyung Women's University Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal 6xHis-tagged Grp1 PH domain (unknown origin) expressed in Escherichia coli BL21(DE3) RIL assessed as inhibition ...				Bioorg Med Chem Lett 24: 2256-62 (2014) Article DOI: 10.1016/j.bmcl.2014.03.085 BindingDB Entry DOI: 10.7270/Q2NP25ZS
					More data for this Ligand-Target Pair
Cytohesin-3 (Homo sapiens (Human))	BDBM112784 (US8628961, PIT-1) Show SMILES Oc1c(Cl)cc(cc1NC(=S)NC(=O)c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C14H10ClN3O4S/c15-10-6-9(18(21)22)7-11(12(10)19)16-14(23)17-13(20)8-4-2-1-3-5-8/h1-7,19H,(H2,16,17,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.03E+4	n/a	n/a	n/a	n/a	7.5	25
Tufts University; Council of Scientific and Industrial Research US Patent					Assay Description In order to identify compounds that disrupt the interaction between PIP3 and PH domains, a high-throughput fluorescence polarization (FP)-binding ass...				US Patent US8628961 (2014) BindingDB Entry DOI: 10.7270/Q2MG7N5S
					More data for this Ligand-Target Pair
Cytohesin-3 (Rattus norvegicus)	BDBM50357883 (CHEMBL1916342) Show SMILES O[C@H]1[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]1OP(O)(=O)OCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 |r| Show InChI InChI=1S/C22H42N3O17P3S/c26-14(8-4-3-7-13-15-12(11-46-13)24-22(30)25-15)23-9-5-1-2-6-10-39-45(37,38)42-19-16(27)17(28)20(40-43(31,32)33)21(18(19)29)41-44(34,35)36/h12-13,15-21,27-29H,1-11H2,(H,23,26)(H,37,38)(H2,24,25,30)(H2,31,32,33)(H2,34,35,36)/t12-,13-,15-,16-,17+,18+,19-,20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
Kumamoto Health Science University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat brain Grp1 PH domain (amino acids 1 to 120) by SPR analysis				Bioorg Med Chem 19: 6833-41 (2011) Article DOI: 10.1016/j.bmc.2011.09.035 BindingDB Entry DOI: 10.7270/Q2RN3881
					More data for this Ligand-Target Pair
Cytohesin-3 (Rattus norvegicus)	BDBM50357882 (CHEMBL1916341) Show SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(=O)OCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 |r| Show InChI InChI=1S/C22H42N3O17P3S/c26-14(8-4-3-7-13-15-12(11-46-13)24-22(30)25-15)23-9-5-1-2-6-10-39-45(37,38)42-19-16(27)17(28)20(40-43(31,32)33)21(18(19)29)41-44(34,35)36/h12-13,15-21,27-29H,1-11H2,(H,23,26)(H,37,38)(H2,24,25,30)(H2,31,32,33)(H2,34,35,36)/t12-,13-,15-,16+,17-,18-,19+,20+,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
Kumamoto Health Science University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat brain Grp1 PH domain (amino acids 1 to 120) by SPR analysis				Bioorg Med Chem 19: 6833-41 (2011) Article DOI: 10.1016/j.bmc.2011.09.035 BindingDB Entry DOI: 10.7270/Q2RN3881
					More data for this Ligand-Target Pair
Cytohesin-3 (Rattus norvegicus)	BDBM50357881 (CHEMBL1916340) Show SMILES O[C@H]1[C@@H](OP(O)(=O)OCCCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C22H43N3O20P4S/c26-14(8-4-3-7-13-15-12(11-50-13)24-22(29)25-15)23-9-5-1-2-6-10-41-49(39,40)45-18-16(27)19(42-46(30,31)32)21(44-48(36,37)38)20(17(18)28)43-47(33,34)35/h12-13,15-21,27-28H,1-11H2,(H,23,26)(H,39,40)(H2,24,25,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)/t12-,13-,15-,16-,17-,18-,19+,20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
Kumamoto Health Science University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat brain Grp1 PH domain (amino acids 1 to 120) by SPR analysis				Bioorg Med Chem 19: 6833-41 (2011) Article DOI: 10.1016/j.bmc.2011.09.035 BindingDB Entry DOI: 10.7270/Q2RN3881
					More data for this Ligand-Target Pair
Cytohesin-3 (Rattus norvegicus)	BDBM50075651 (1D-myo-inositol 1,3,4,5-tetrakis(dihydrogen phosph...) Show SMILES O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O Show InChI InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
Kumamoto Health Science University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat brain Grp1 PH domain (amino acids 1 to 120) after 10 mins by pull-down assay				Bioorg Med Chem 19: 6833-41 (2011) Article DOI: 10.1016/j.bmc.2011.09.035 BindingDB Entry DOI: 10.7270/Q2RN3881
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytohesin-3 (Rattus norvegicus)	BDBM50357881 (CHEMBL1916340) Show SMILES O[C@H]1[C@@H](OP(O)(=O)OCCCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C22H43N3O20P4S/c26-14(8-4-3-7-13-15-12(11-50-13)24-22(29)25-15)23-9-5-1-2-6-10-41-49(39,40)45-18-16(27)19(42-46(30,31)32)21(44-48(36,37)38)20(17(18)28)43-47(33,34)35/h12-13,15-21,27-28H,1-11H2,(H,23,26)(H,39,40)(H2,24,25,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)/t12-,13-,15-,16-,17-,18-,19+,20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a
Kumamoto Health Science University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat brain Grp1 PH domain (amino acids 1 to 120) after 10 mins by pull-down assay				Bioorg Med Chem 19: 6833-41 (2011) Article DOI: 10.1016/j.bmc.2011.09.035 BindingDB Entry DOI: 10.7270/Q2RN3881
					More data for this Ligand-Target Pair