Compile Data Set for Download or QSAR

Found 376 hits with Last Name = 'nicolas' and Initial = 'o'   

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
DNA polymerase theta (Homo sapiens)	BDBM50591018 (CHEMBL5204203) Show SMILES Cc1nnc(o1)C(=O)NCC#CCN(C(=O)Cc1ccc(cc1C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0680	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591016 (CHEMBL5175156) Show SMILES FC(F)(F)c1ccc(CC(=O)N(CC#CCNC(=O)c2cccnc2)c2ccccc2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591017 (CHEMBL5206022) Show SMILES FC(F)(F)c1ccc(CC(=O)N(CC#CCNC(=O)c2ccccn2)c2ccccc2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591022 (CHEMBL5197367) Show SMILES FC(F)(F)c1ccc(CC(=O)N(CC#Cc2cccc(=O)[nH]2)c2ccccc2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591035 (CHEMBL5187422) Show SMILES Nc1ccc(nn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591030 (CHEMBL5174509) Show SMILES Fc1ccc(cc1)N(CC#Cc1ccc(cn1)C1CCNC1)C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591026 (CHEMBL5197173) Show SMILES Fc1ccc(cc1)N(CC#Cc1cnn(c1)C1CNC1)C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591015 (CHEMBL5170373) Show SMILES CC(=O)NCC#CCN(C(=O)Cc1ccc(cc1C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591028 (CHEMBL5194637) Show SMILES CS(=O)(=O)Cn1cc(cn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591027 (CHEMBL5197021) Show SMILES CC(C(N)=O)n1cc(cn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591019 (CHEMBL5187337) Show SMILES Cn1cncc1C#CCN(C(=O)Cc1ccc(cc1C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591024 (CHEMBL5188048) Show SMILES FC(F)(F)c1ccc(CC(=O)N(CC#Cc2cccnn2)c2ccccc2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA polymerase theta (Homo sapiens)	BDBM50591033 (CHEMBL5181369) Show SMILES Nc1ncc(cn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591029 (CHEMBL5174376) Show SMILES Cn1nc(N)cc1C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591032 (CHEMBL5200250) Show SMILES COc1ncc(cn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591021 (CHEMBL5174283) Show SMILES FC(F)(F)c1ccc(CC(=O)N(CC#Cc2cccnc2)c2ccccc2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591020 (CHEMBL5195161) Show SMILES FC(F)(F)c1ccc(CC(=O)N(CC#Cc2ccccn2)c2ccccc2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591023 (CHEMBL5194194) Show SMILES FC(F)(F)c1ccc(CC(=O)N(CC#Cc2ncccn2)c2ccccc2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591034 (CHEMBL5206029) Show SMILES Nc1cnc(cn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591031 (CHEMBL5202450) Show SMILES COc1ccc(nn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591035 (CHEMBL5187422) Show SMILES Nc1ccc(nn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591002 (CHEMBL5195920) Show SMILES CN(C(=S)Cn1nc2CCCc2c1C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591002 (CHEMBL5195920) Show SMILES CN(C(=S)Cn1nc2CCCc2c1C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591002 (CHEMBL5195920) Show SMILES CN(C(=S)Cn1nc2CCCc2c1C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591025 (CHEMBL5200171) Show SMILES Cn1cnc(c1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591002 (CHEMBL5195920) Show SMILES CN(C(=S)Cn1nc2CCCc2c1C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591002 (CHEMBL5195920) Show SMILES CN(C(=S)Cn1nc2CCCc2c1C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591014 (CHEMBL5178605) Show SMILES FC(F)(F)c1ccc(CC(=O)N(CC#C)c2ccccc2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591003 (CHEMBL5203967) Show SMILES CN(C(=O)Cc1ccc(cc1C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591012 (CHEMBL5185359) Show SMILES CN(C(=O)Cc1ccc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591002 (CHEMBL5195920) Show SMILES CN(C(=S)Cn1nc2CCCc2c1C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591012 (CHEMBL5185359) Show SMILES CN(C(=O)Cc1ccc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591006 (CHEMBL5178606) Show SMILES CN(C(=O)Cc1ccc(cc1C(F)(F)F)C1CC1)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591013 (CHEMBL5206197) Show SMILES FC(F)(F)c1ccc(CC(=O)N(CC#N)c2ccccc2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591008 (CHEMBL5208584) Show SMILES CN(C(=O)Cn1c(cc(cc1=O)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591007 (CHEMBL5181730) Show SMILES CN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591005 (CHEMBL5200543) Show SMILES CN(C(=O)Cc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50590990 (CHEMBL5185248) Show SMILES CN(C(=O)Cn1nc2CCCCc2c1C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50590997 (CHEMBL5175626) Show SMILES CC1CCc2nn(CC(=O)N(C)c3ccccc3)c(c12)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50139666 (5-(4-Acetyl-phenyl)-3-(2,4-dimethyl-benzenesulfony...) Show SMILES CC(=O)c1ccc(cc1)-c1cc(NS(=O)(=O)c2ccc(C)cc2C)c(s1)C(O)=O Show InChI InChI=1S/C21H19NO5S2/c1-12-4-9-19(13(2)10-12)29(26,27)22-17-11-18(28-20(17)21(24)25)16-7-5-15(6-8-16)14(3)23/h4-11,22H,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Shire BioChem Inc. Curated by ChEMBL					Assay Description Inhibition of HCV NS5B polymerase				Bioorg Med Chem Lett 14: 793-6 (2004) BindingDB Entry DOI: 10.7270/Q2PV6JSN
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50590999 (CHEMBL5199017) Show SMILES CN(C(=O)Cn1nc2CCC(C)(C)c2c1C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591000 (CHEMBL5170248) Show SMILES CN(C(=O)Cn1nc2CC(C)(C)Cc2c1C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
Apolipoprotein L1 (Homo sapiens)	BDBM615176 (3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-...) Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)C(F)(F)Cc1c([nH]c2c(F)cc(F)cc12)-c1ccc(F)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US9725441 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2MXG
					More data for this Ligand-Target Pair
Apolipoprotein L1 (Homo sapiens)	BDBM615176 (3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-...) Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)C(F)(F)Cc1c([nH]c2c(F)cc(F)cc12)-c1ccc(F)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US9725441 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2MXG
					More data for this Ligand-Target Pair
Apolipoprotein L1 (Homo sapiens)	BDBM615179 (3-[5,6-difluoro-2-(4-fluorophenyl)-7-methyl-1H-ind...) Show SMILES Cc1c(F)c(F)cc2c(CCC(=O)N[C@H]3[C@H](O)CNC3=O)c([nH]c12)-c1ccc(F)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US9725441 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2MXG
					More data for this Ligand-Target Pair
Apolipoprotein L1 (Homo sapiens)	BDBM615179 (3-[5,6-difluoro-2-(4-fluorophenyl)-7-methyl-1H-ind...) Show SMILES Cc1c(F)c(F)cc2c(CCC(=O)N[C@H]3[C@H](O)CNC3=O)c([nH]c12)-c1ccc(F)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US9725441 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2MXG
					More data for this Ligand-Target Pair
Apolipoprotein L1 (Homo sapiens)	BDBM615180 (3-(5,6-difluoro-7-methyl-2-phenyl-1H-indol-3-yl)-N...) Show SMILES Cc1c(F)c(F)cc2c(CCC(=O)N[C@H]3[C@H](O)CNC3=O)c([nH]c12)-c1ccccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US9725441 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2MXG
					More data for this Ligand-Target Pair
Apolipoprotein L1 (Homo sapiens)	BDBM615180 (3-(5,6-difluoro-7-methyl-2-phenyl-1H-indol-3-yl)-N...) Show SMILES Cc1c(F)c(F)cc2c(CCC(=O)N[C@H]3[C@H](O)CNC3=O)c([nH]c12)-c1ccccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US9725441 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2MXG
					More data for this Ligand-Target Pair
Apolipoprotein L1 (Homo sapiens)	BDBM615181 (3-[7-(difluoromethyl)-5-fluoro-2-(4-fluorophenyl)-...) Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2c(cc(F)cc12)C(F)F)-c1ccc(F)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US9725441 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2MXG
					More data for this Ligand-Target Pair
Apolipoprotein L1 (Homo sapiens)	BDBM615182 (3-[7-fluoro-2-(4-fluorophenyl)-5-(trifluoromethyl)...) Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2c(F)cc(cc12)C(F)(F)F)-c1ccc(F)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US9725441 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2MXG
					More data for this Ligand-Target Pair

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