Compile Data Set for Download or QSAR

Found 8 hits of kd data for polymerid = 50007048   

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
Protein S100-B (Rattus norvegicus)	BDBM50146593 (CHEMBL3764851) Show SMILES NCCCCCCCNC(=N)c1ccc(OCCCCCCCOc2ccc(cc2)C(=N)NCCCCCCCN)cc1 Show InChI InChI=1S/C35H58N6O2/c36-24-10-4-1-6-12-26-40-34(38)30-16-20-32(21-17-30)42-28-14-8-3-9-15-29-43-33-22-18-31(19-23-33)35(39)41-27-13-7-2-5-11-25-37/h16-23H,1-15,24-29,36-37H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of TAMRA-TRTK12 from recombinant rat calcium loaded S100-B by Nikolovska-Cleska analysis				J Med Chem 59: 592-608 (2016) Article DOI: 10.1021/acs.jmedchem.5b01369 BindingDB Entry DOI: 10.7270/Q2TH8PJQ
					More data for this Ligand-Target Pair
Protein S100-B (Rattus norvegicus)	BDBM50146592 (CHEMBL3764285) Show SMILES NCCCCCCCNC(=N)c1ccc(OCCCCCCCCOc2ccc(cc2)C(=N)NCCCCCCCN)cc1 Show InChI InChI=1S/C36H60N6O2/c37-25-11-5-3-7-13-27-41-35(39)31-17-21-33(22-18-31)43-29-15-9-1-2-10-16-30-44-34-23-19-32(20-24-34)36(40)42-28-14-8-4-6-12-26-38/h17-24H,1-16,25-30,37-38H2,(H2,39,41)(H2,40,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of TAMRA-TRTK12 from recombinant rat calcium loaded S100-B by Nikolovska-Cleska analysis				J Med Chem 59: 592-608 (2016) Article DOI: 10.1021/acs.jmedchem.5b01369 BindingDB Entry DOI: 10.7270/Q2TH8PJQ
					More data for this Ligand-Target Pair
Protein S100-B (Rattus norvegicus)	BDBM50146595 (CHEMBL3765382) Show SMILES NCCCCCNC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)NCCCCCN)cc1 Show InChI InChI=1S/C29H46N6O2/c30-18-4-1-6-20-34-28(32)24-10-14-26(15-11-24)36-22-8-3-9-23-37-27-16-12-25(13-17-27)29(33)35-21-7-2-5-19-31/h10-17H,1-9,18-23,30-31H2,(H2,32,34)(H2,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of TAMRA-TRTK12 from recombinant rat calcium loaded S100-B by Nikolovska-Cleska analysis				J Med Chem 59: 592-608 (2016) Article DOI: 10.1021/acs.jmedchem.5b01369 BindingDB Entry DOI: 10.7270/Q2TH8PJQ
					More data for this Ligand-Target Pair
Protein S100-B (Rattus norvegicus)	BDBM50100895 (2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...) Show SMILES NC(=N)c1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C(N)=N)cc1 Show InChI InChI=1S/C22H19N5O/c23-21(24)14-5-9-18(10-6-14)28-17-7-3-13(4-8-17)19-11-15-1-2-16(22(25)26)12-20(15)27-19/h1-12,27H,(H3,23,24)(H3,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of TAMRA-TRTK12 from recombinant rat calcium loaded S100-B by Nikolovska-Cleska analysis				J Med Chem 59: 592-608 (2016) Article DOI: 10.1021/acs.jmedchem.5b01369 BindingDB Entry DOI: 10.7270/Q2TH8PJQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein S100-B (Rattus norvegicus)	BDBM45440 (4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to recombinant rat calcium loaded S100-B by fluorescence spectrophotometric analysis				J Med Chem 59: 592-608 (2016) Article DOI: 10.1021/acs.jmedchem.5b01369 BindingDB Entry DOI: 10.7270/Q2TH8PJQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein S100-B (Rattus norvegicus)	BDBM45440 (4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to recombinant rat calcium loaded S100-B by isothermal titration calorimetry				J Med Chem 59: 592-608 (2016) Article DOI: 10.1021/acs.jmedchem.5b01369 BindingDB Entry DOI: 10.7270/Q2TH8PJQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein S100-B (Rattus norvegicus)	BDBM50146596 (CHEMBL3765054) Show SMILES CNC(=O)NC(=N)c1ccc(OCCCCCCCOc2ccc(cc2)C(=N)NC(=O)NC)cc1 Show InChI InChI=1S/C25H34N6O4/c1-28-24(32)30-22(26)18-8-12-20(13-9-18)34-16-6-4-3-5-7-17-35-21-14-10-19(11-15-21)23(27)31-25(33)29-2/h8-15H,3-7,16-17H2,1-2H3,(H3,26,28,30,32)(H3,27,29,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.95E+4	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of TAMRA-TRTK12 from recombinant rat calcium loaded S100-B by Nikolovska-Cleska analysis				J Med Chem 59: 592-608 (2016) Article DOI: 10.1021/acs.jmedchem.5b01369 BindingDB Entry DOI: 10.7270/Q2TH8PJQ
					More data for this Ligand-Target Pair
Protein S100-B (Rattus norvegicus)	BDBM50146594 (CHEMBL3765771) Show SMILES C(CCCOc1ccc(cc1)C1=NCCN1)CCCOc1ccc(cc1)C1=NCCN1 |t:12,29| Show InChI InChI=1S/C25H32N4O2/c1(2-4-18-30-22-10-6-20(7-11-22)24-26-14-15-27-24)3-5-19-31-23-12-8-21(9-13-23)25-28-16-17-29-25/h6-13H,1-5,14-19H2,(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.03E+5	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of TAMRA-TRTK12 from recombinant rat calcium loaded S100-B by Nikolovska-Cleska analysis				J Med Chem 59: 592-608 (2016) Article DOI: 10.1021/acs.jmedchem.5b01369 BindingDB Entry DOI: 10.7270/Q2TH8PJQ
					More data for this Ligand-Target Pair