Compile Data Set for Download or QSAR

Found 98 hits with Last Name = 'smith' and Initial = 'bc'   

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
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591380 (CHEMBL5180611) Show SMILES Cc1cccc(c1)C1NC(=O)c2c(Br)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50184981 (CHEMBL3823055) Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21 Show InChI InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-7,10-11H,3-4,8-9H2,1-2H3/b12-10+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591362 (CHEMBL5195502) Show SMILES Cc1ccccc1C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591371 (CHEMBL5187356) Show SMILES Cc1cccc(C2NC(=O)c3c(Cl)cccc3N2)c1C Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591363 (CHEMBL5170275) Show SMILES Cc1cccc(c1)C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591381 (CHEMBL5184118) Show SMILES Cc1ccccc1C1NC(=O)c2c(Br)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591372 (CHEMBL5207236) Show SMILES Cc1cccc(C)c1C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591370 (CHEMBL5185774) Show SMILES Cc1ccc(C)c(c1)C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591367 (CHEMBL5195542) Show SMILES Cc1ccc(C2NC(=O)c3c(Cl)cccc3N2)c(C)c1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591364 (CHEMBL5194300) Show SMILES Cc1ccc(cc1)C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591358 (CHEMBL5204703) Show SMILES Fc1cccc(Cl)c1C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591359 (CHEMBL5170175) Show SMILES Clc1cccc2NC(NC(=O)c12)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591379 (CHEMBL5176658) Show SMILES Cc1cccc(c1)C1NC(=O)c2c(C)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591368 (CHEMBL5181215) Show SMILES Cc1cc(C)c(C2NC(=O)c3c(Cl)cccc3N2)c(C)c1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591360 (CHEMBL5205087) Show SMILES Fc1ccccc1C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591361 (CHEMBL5197320) Show SMILES Clc1ccccc1C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591365 (CHEMBL5171156) Show SMILES COc1ccc(cc1)C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591378 (CHEMBL5178860) Show SMILES Cc1cccc(c1)C1NC(=O)c2c(F)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591366 (CHEMBL5203878) Show SMILES FC(F)(F)c1cccc(c1)C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591357 (CHEMBL5205514) Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1ccccc21 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591383 (CHEMBL5184333) Show SMILES OC(=O)c1cccc2c1[nH]c1cccc(Cl)c1c2=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591374 (CHEMBL5172472) Show SMILES NC(=O)c1c(Cl)cccc1\N=C\c1c(F)cccc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591382 (CHEMBL5171944) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50104297 (CHEMBL3594130) Show SMILES Cc1ccccc1C1NC(=O)c2ccccc2N1 Show InChI InChI=1S/C15H14N2O/c1-10-6-2-3-7-11(10)14-16-13-9-5-4-8-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591377 (CHEMBL5200761) Show SMILES COc1cccc2NC(NC(=O)c12)c1ccccc1C Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591369 (CHEMBL5186537) Show SMILES Cc1cc(C)cc(c1)C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591376 (CHEMBL5196748) Show SMILES Cc1cccc(c1)-c1nc2cccc(Cl)c2c(=O)[nH]1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591373 (CHEMBL5171878) Show SMILES NC(=O)c1ccccc1\N=C\c1c(F)cccc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591347 (CHEMBL541514) Show SMILES OC(=O)c1cccc2c1[nH]c1ccccc1c2=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.27E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591375 (CHEMBL5202589) Show SMILES Cc1cccc(c1)-c1nc2cccc(Cl)c2c(=O)o1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591385 (CHEMBL5169618) Show SMILES OC(=O)c1ccc(Cl)c2c1[nH]c1ccccc1c2=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591384 (LOBENZARIT | Lobenzarit) Show SMILES OC(=O)c1ccccc1Nc1cc(Cl)ccc1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase HST2 (Saccharomyces cerevisiae)	BDBM50242433 ((2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-{...) Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C50H90N18O16/c1-27(48(82)68-23-11-16-36(68)46(80)64-33(15-10-22-58-50(55)56)43(77)63-32(13-5-8-20-52)44(78)65-34(49(83)84)17-18-37(54)72)61-42(76)31(14-6-9-21-57-29(3)71)62-39(74)25-59-38(73)24-60-47(81)40(28(2)70)67-45(79)35(26-69)66-41(75)30(53)12-4-7-19-51/h27-28,30-36,40,69-70H,4-26,51-53H2,1-3H3,(H2,54,72)(H,57,71)(H,59,73)(H,60,81)(H,61,76)(H,62,74)(H,63,77)(H,64,80)(H,65,78)(H,66,75)(H,67,79)(H,83,84)(H4,55,56,58)/t27-,28+,30-,31-,32-,33-,34-,35-,36-,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry				J Biol Chem 282: 37256-65 (2007) Article DOI: 10.1074/jbc.M707878200 BindingDB Entry DOI: 10.7270/Q2H132W7
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase HST2 (Saccharomyces cerevisiae)	BDBM50242443 (CID44560107 | [amino({[(5S)-5-{[(2S)-1-[(2S)-2-{[(...) Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C49H90N20O15/c1-26(46(82)69-22-10-15-34(69)44(80)65-31(14-9-21-59-49(56)57)41(77)64-30(12-4-7-19-51)42(78)66-32(47(83)84)16-17-35(53)72)62-40(76)29(13-5-8-20-58-48(54)55)63-37(74)24-60-36(73)23-61-45(81)38(27(2)71)68-43(79)33(25-70)67-39(75)28(52)11-3-6-18-50/h26-34,38,70-71H,3-25,50-52H2,1-2H3,(H2,53,72)(H,60,73)(H,61,81)(H,62,76)(H,63,74)(H,64,77)(H,65,80)(H,66,78)(H,67,75)(H,68,79)(H,83,84)(H4,54,55,58)(H4,56,57,59)/p+1/t26-,27+,28-,29-,30-,31-,32-,33-,34-,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry				J Biol Chem 282: 37256-65 (2007) Article DOI: 10.1074/jbc.M707878200 BindingDB Entry DOI: 10.7270/Q2H132W7
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase HST2 (Saccharomyces cerevisiae)	BDBM50242442 ((2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-{...) Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)C(F)(F)F)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C50H87F3N18O16/c1-26(46(84)71-22-10-15-34(71)44(82)67-31(14-9-21-61-49(58)59)41(79)66-30(12-4-7-19-55)42(80)68-32(47(85)86)16-17-35(57)74)64-40(78)29(13-5-8-20-60-48(87)50(51,52)53)65-37(76)24-62-36(75)23-63-45(83)38(27(2)73)70-43(81)33(25-72)69-39(77)28(56)11-3-6-18-54/h26-34,38,72-73H,3-25,54-56H2,1-2H3,(H2,57,74)(H,60,87)(H,62,75)(H,63,83)(H,64,78)(H,65,76)(H,66,79)(H,67,82)(H,68,80)(H,69,77)(H,70,81)(H,85,86)(H4,58,59,61)/t26-,27+,28-,29-,30-,31-,32-,33-,34-,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry				J Biol Chem 282: 37256-65 (2007) Article DOI: 10.1074/jbc.M707878200 BindingDB Entry DOI: 10.7270/Q2H132W7
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase HST2 (Saccharomyces cerevisiae)	BDBM50242441 ((2S)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(...) Show SMILES [#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C52H94N18O16/c1-4-13-39(74)59-23-10-7-16-32(64-41(76)27-61-40(75)26-62-49(83)42(30(3)72)69-47(81)36(28-71)68-43(77)31(55)14-5-8-21-53)44(78)63-29(2)50(84)70-25-12-18-37(70)48(82)66-34(17-11-24-60-52(57)58)45(79)65-33(15-6-9-22-54)46(80)67-35(51(85)86)19-20-38(56)73/h29-37,42,71-72H,4-28,53-55H2,1-3H3,(H2,56,73)(H,59,74)(H,61,75)(H,62,83)(H,63,78)(H,64,76)(H,65,79)(H,66,82)(H,67,80)(H,68,77)(H,69,81)(H,85,86)(H4,57,58,60)/t29-,30+,31-,32-,33-,34-,35-,36-,37-,42-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry				J Biol Chem 282: 37256-65 (2007) Article DOI: 10.1074/jbc.M707878200 BindingDB Entry DOI: 10.7270/Q2H132W7
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase HST2 (Saccharomyces cerevisiae)	BDBM50242440 ((2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-{...) Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C50H90N18O17/c1-27(48(83)68-22-10-15-35(68)46(81)64-32(14-9-21-58-50(55)56)43(78)63-31(12-4-7-19-52)44(79)65-33(49(84)85)16-17-36(54)72)61-42(77)30(13-5-8-20-57-39(75)26-70)62-38(74)24-59-37(73)23-60-47(82)40(28(2)71)67-45(80)34(25-69)66-41(76)29(53)11-3-6-18-51/h27-35,40,69-71H,3-26,51-53H2,1-2H3,(H2,54,72)(H,57,75)(H,59,73)(H,60,82)(H,61,77)(H,62,74)(H,63,78)(H,64,81)(H,65,79)(H,66,76)(H,67,80)(H,84,85)(H4,55,56,58)/t27-,28+,29-,30-,31-,32-,33-,34-,35-,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry				J Biol Chem 282: 37256-65 (2007) Article DOI: 10.1074/jbc.M707878200 BindingDB Entry DOI: 10.7270/Q2H132W7
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase HST2 (Saccharomyces cerevisiae)	BDBM50242439 ((1-{[(5S)-5-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-5-ami...) Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](-[#6])=[#7+])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C50H91N19O15/c1-27(48(82)69-23-11-16-36(69)46(80)65-33(15-10-22-59-50(56)57)43(77)64-32(13-5-8-20-52)44(78)66-34(49(83)84)17-18-37(55)72)62-42(76)31(14-6-9-21-58-29(3)53)63-39(74)25-60-38(73)24-61-47(81)40(28(2)71)68-45(79)35(26-70)67-41(75)30(54)12-4-7-19-51/h27-28,30-36,40,70-71H,4-26,51-52,54H2,1-3H3,(H2,53,58)(H2,55,72)(H,60,73)(H,61,81)(H,62,76)(H,63,74)(H,64,77)(H,65,80)(H,66,78)(H,67,75)(H,68,79)(H,83,84)(H4,56,57,59)/p+1/t27-,28+,30-,31-,32-,33-,34-,35-,36-,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry				J Biol Chem 282: 37256-65 (2007) Article DOI: 10.1074/jbc.M707878200 BindingDB Entry DOI: 10.7270/Q2H132W7
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase HST2 (Saccharomyces cerevisiae)	BDBM50242438 ((2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-{...) Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6](F)F)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C50H88F2N18O16/c1-26(48(84)70-22-10-15-34(70)45(81)66-31(14-9-21-60-50(57)58)42(78)65-30(12-4-7-19-54)43(79)67-32(49(85)86)16-17-35(56)73)63-41(77)29(13-5-8-20-59-47(83)39(51)52)64-37(75)24-61-36(74)23-62-46(82)38(27(2)72)69-44(80)33(25-71)68-40(76)28(55)11-3-6-18-53/h26-34,38-39,71-72H,3-25,53-55H2,1-2H3,(H2,56,73)(H,59,83)(H,61,74)(H,62,82)(H,63,77)(H,64,75)(H,65,78)(H,66,81)(H,67,79)(H,68,76)(H,69,80)(H,85,86)(H4,57,58,60)/t26-,27+,28-,29-,30-,31-,32-,33-,34-,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry				J Biol Chem 282: 37256-65 (2007) Article DOI: 10.1074/jbc.M707878200 BindingDB Entry DOI: 10.7270/Q2H132W7
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase HST2 (Saccharomyces cerevisiae)	BDBM50242437 ((2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-{...) Show SMILES [#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C51H92N18O16/c1-4-38(73)58-22-10-7-15-31(63-40(75)26-60-39(74)25-61-48(82)41(29(3)71)68-46(80)35(27-70)67-42(76)30(54)13-5-8-20-52)43(77)62-28(2)49(83)69-24-12-17-36(69)47(81)65-33(16-11-23-59-51(56)57)44(78)64-32(14-6-9-21-53)45(79)66-34(50(84)85)18-19-37(55)72/h28-36,41,70-71H,4-27,52-54H2,1-3H3,(H2,55,72)(H,58,73)(H,60,74)(H,61,82)(H,62,77)(H,63,75)(H,64,78)(H,65,81)(H,66,79)(H,67,76)(H,68,80)(H,84,85)(H4,56,57,59)/t28-,29+,30-,31-,32-,33-,34-,35-,36-,41-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry				J Biol Chem 282: 37256-65 (2007) Article DOI: 10.1074/jbc.M707878200 BindingDB Entry DOI: 10.7270/Q2H132W7
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase HST2 (Saccharomyces cerevisiae)	BDBM50242436 ((2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-{...) Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](-[#6])=S)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C50H90N18O15S/c1-27(48(81)68-23-11-16-36(68)46(79)64-33(15-10-22-58-50(55)56)43(76)63-32(13-5-8-20-52)44(77)65-34(49(82)83)17-18-37(54)71)61-42(75)31(14-6-9-21-57-29(3)84)62-39(73)25-59-38(72)24-60-47(80)40(28(2)70)67-45(78)35(26-69)66-41(74)30(53)12-4-7-19-51/h27-28,30-36,40,69-70H,4-26,51-53H2,1-3H3,(H2,54,71)(H,57,84)(H,59,72)(H,60,80)(H,61,75)(H,62,73)(H,63,76)(H,64,79)(H,65,77)(H,66,74)(H,67,78)(H,82,83)(H4,55,56,58)/t27-,28+,30-,31-,32-,33-,34-,35-,36-,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry				J Biol Chem 282: 37256-65 (2007) Article DOI: 10.1074/jbc.M707878200 BindingDB Entry DOI: 10.7270/Q2H132W7
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase HST2 (Saccharomyces cerevisiae)	BDBM50242435 ((2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-{...) Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C49H89N19O16/c1-26(46(81)68-22-10-15-34(68)44(79)64-31(14-9-21-57-48(54)55)41(76)63-30(12-4-7-19-51)42(77)65-32(47(82)83)16-17-35(53)71)61-40(75)29(13-5-8-20-58-49(56)84)62-37(73)24-59-36(72)23-60-45(80)38(27(2)70)67-43(78)33(25-69)66-39(74)28(52)11-3-6-18-50/h26-34,38,69-70H,3-25,50-52H2,1-2H3,(H2,53,71)(H,59,72)(H,60,80)(H,61,75)(H,62,73)(H,63,76)(H,64,79)(H,65,77)(H,66,74)(H,67,78)(H,82,83)(H4,54,55,57)(H3,56,58,84)/t26-,27+,28-,29-,30-,31-,32-,33-,34-,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry				J Biol Chem 282: 37256-65 (2007) Article DOI: 10.1074/jbc.M707878200 BindingDB Entry DOI: 10.7270/Q2H132W7
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase HST2 (Saccharomyces cerevisiae)	BDBM50242434 ((2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-{...) Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]F)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C50H89FN18O16/c1-27(48(83)69-22-10-15-35(69)46(81)65-32(14-9-21-59-50(56)57)43(78)64-31(12-4-7-19-53)44(79)66-33(49(84)85)16-17-36(55)72)62-42(77)30(13-5-8-20-58-37(73)23-51)63-39(75)25-60-38(74)24-61-47(82)40(28(2)71)68-45(80)34(26-70)67-41(76)29(54)11-3-6-18-52/h27-35,40,70-71H,3-26,52-54H2,1-2H3,(H2,55,72)(H,58,73)(H,60,74)(H,61,82)(H,62,77)(H,63,75)(H,64,78)(H,65,81)(H,66,79)(H,67,76)(H,68,80)(H,84,85)(H4,56,57,59)/t27-,28+,29-,30-,31-,32-,33-,34-,35-,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry				J Biol Chem 282: 37256-65 (2007) Article DOI: 10.1074/jbc.M707878200 BindingDB Entry DOI: 10.7270/Q2H132W7
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM26590 (2-({2-[(carboxymethyl)sulfanyl]-6-phenylpyrimidin-...) Show SMILES OC(=O)CSc1cc(nc(SCC(O)=O)n1)-c1ccccc1 Show InChI InChI=1S/C14H12N2O4S2/c17-12(18)7-21-11-6-10(9-4-2-1-3-5-9)15-14(16-11)22-8-13(19)20/h1-6H,7-8H2,(H,17,18)(H,19,20)	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	n/a	1.69E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50572254 (CHEMBL4867673) Show SMILES Cc1cc(SCC(O)=O)nc(SCC(O)=O)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.20E+6	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50572255 (CHEMBL4849432) Show SMILES OC(=O)CSc1cc(ncn1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.00E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50572256 (CHEMBL4868335) Show SMILES OC(=O)CSc1nc(SCC(O)=O)nc(n1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.58E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50572257 (CHEMBL4847868) Show SMILES OC(=O)CNc1nc(NCC(O)=O)nc(n1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.55E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50572258 (CHEMBL4872618) Show SMILES OC(=O)CCSc1nc(SCCC(O)=O)nc(n1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.58E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50572259 (CHEMBL4852068) Show SMILES CCCC[C@H](Nc1nc(N[C@@H](CCCC)C(O)=O)nc(n1)-c1ccccc1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.56E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair

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