Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'xu' and Initial = 'jl'   

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
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191600 (2-(5-((4-chloro-2-methylbenzyl)oxy)-1Hpyrazol-1-yl...) Show SMILES Cc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C17H14ClN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM195608 (CPI-455) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1 Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590979 (CHEMBL5206280) Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)NC1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590960 (CHEMBL5182528) Show SMILES CCOC(=O)c1ccnc(CNCC(C)N(CC)CCN(C)C)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590961 (CHEMBL5178382) Show SMILES O=C(N[C@@H]1CCN(C1)C(=O)c1cc([nH]n1)-c1ccccc1)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590980 (CHEMBL5187685) Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)NCC#C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM281089 (US10022354, Example 29) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1 |r| Show InChI InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590981 (CHEMBL5180813) Show SMILES CCNC(=O)N[C@@H]1CCN(C1)C(=O)c1cc([nH]n1)C(C)C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590968 (CHEMBL5174375) Show SMILES Clc1ccccc1-c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590982 (CHEMBL5190057) Show SMILES O=C(NC1CC1)N[C@@H]1CCN(C1)C(=O)c1cc([nH]n1)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50590979 (CHEMBL5206280) Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)NC1CC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590963 (CHEMBL5208852) Show SMILES Clc1ccc(cc1)-c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590970 (CHEMBL5208099) Show SMILES O=C(N[C@@H]1CCN(C1)C(=O)c1cc([nH]n1)-c1cccs1)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590965 (CHEMBL5174240) Show SMILES Cc1ccc(cc1)-c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590978 (CHEMBL5207005) Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)N1CCCC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590984 (CHEMBL5197642) Show SMILES CCNC(=O)N[C@@H]1CCN(C1)C(=O)c1cc([nH]n1)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590962 (CHEMBL5209413) Show SMILES Fc1ccc(cc1)-c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590971 (CHEMBL5203703) Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)Nc1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590967 (CHEMBL5182152) Show SMILES COc1ccc(cc1OC)-c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590964 (CHEMBL5202845) Show SMILES Brc1ccc(cc1)-c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590972 (CHEMBL5180165) Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)Nc1ccc(F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	243	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590986 (CHEMBL5204336) Show SMILES CCN(CC)C(=O)N[C@@H]1CCN(C1)C(=O)c1cc([nH]n1)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590969 (CHEMBL5202556) Show SMILES Clc1cccc(c1)-c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	346	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM50590979 (CHEMBL5206280) Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)NC1CC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	353	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590983 (CHEMBL5195869) Show SMILES O=C(NCC#C)N[C@@H]1CCN(C1)C(=O)c1cc([nH]n1)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	393	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590977 (CHEMBL5192944) Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)NC1CCCC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	414	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590975 (CHEMBL5193645) Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)N1CCSCC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	584	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590976 (CHEMBL5183542) Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)NC1CCCCC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	712	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590973 (CHEMBL5200113) Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)NCc1ccco1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590987 (CHEMBL5200296) Show SMILES CC(C)N(C)C(=O)N[C@@H]1CCN(C1)C(=O)c1cc([nH]n1)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	943	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590985 (CHEMBL5175152) Show SMILES CN(C)C(=O)N[C@@H]1CCN(C1)C(=O)c1cc([nH]n1)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590966 (CHEMBL5209387) Show SMILES COc1ccc(cc1)-c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590988 (CHEMBL5208077) Show SMILES CN(CCNC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C1)C(=O)c1cc([nH]n1)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50590974 (CHEMBL5180353) Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CC[C@H](C1)NC(=S)Nc1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM26106 (CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...) Show SMILES OC(=O)CNC(=O)C(O)=O Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00797 BindingDB Entry DOI: 10.7270/Q2GX4GJR
					More data for this Ligand-Target Pair				3D Structure (crystal)