Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'bunnell' and Initial = 't'   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600282 (CHEMBL5196360) Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2ncn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2c1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600258 (CHEMBL5201543) Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2CN(C(C(=O)Nc3nccs3)c3cc(F)ccc3O)C(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600259 (CHEMBL5182553) Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2CN(C(C(=O)Nc3nccs3)c3cccc(F)c3)C(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600274 (CHEMBL5206902) Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2ncn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600257 (CHEMBL5191510) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2CN(C(C(=O)Nc3nccs3)c3cc(F)ccc3O)C(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50518965 (CHEMBL4443062) Show SMILES Oc1ccc(F)cc1C(N1Cc2ccc(cc2C1=O)-c1ccc(cc1)N1CCNCC1)C(=O)Nc1nccs1 Show InChI InChI=1S/C29H26FN5O3S/c30-21-5-8-25(36)24(16-21)26(27(37)33-29-32-11-14-39-29)35-17-20-2-1-19(15-23(20)28(35)38)18-3-6-22(7-4-18)34-12-9-31-10-13-34/h1-8,11,14-16,26,31,36H,9-10,12-13,17H2,(H,32,33,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600281 (CHEMBL5177272) Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1cc(F)c2ncn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600279 (CHEMBL5191674) Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2ncn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600273 (CHEMBL5172573) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2ncn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600260 (CHEMBL5177306) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2CN(C(C(=O)Nc3nccs3)c3ccccc3)C(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600261 (CHEMBL5198812) Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2CN(C(C(=O)Nc3nccs3)c3ccccc3)C(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600263 (CHEMBL5202129) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2C(=O)N(CCc2c1)C(C(=O)Nc1nccs1)c1cccc(F)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600268 (CHEMBL5197154) Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2c(ccn(C(C(=O)Nc3nccs3)c3ccccc3)c2=O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600283 (CHEMBL5178571) Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1cc2c(cc1F)ncn(C(C(=O)Nc1nccs1)c1ccccc1)c2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600270 (CHEMBL5173701) Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2ccn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600262 (CHEMBL5176460) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2CN(C(C(=O)Nc3nccs3)c3cccc(F)c3)C(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600280 (CHEMBL5207108) Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1cnc2ncn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600264 (CHEMBL5200637) Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2C(=O)N(CCc2c1)C(C(=O)Nc1nccs1)c1cccc(F)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600271 (CHEMBL5204970) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2c(c1)ncn(C(C(=O)Nc1nccs1)c1ccccc1)c2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600266 (CHEMBL5195912) Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2CCN(C(C(=O)Nc3nccs3)c3cccc(F)c3)C(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50453891 (CHEMBL4214567) Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600267 (CHEMBL5178865) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2c(ccn(C(C(=O)Nc3nccs3)c3ccccc3)c2=O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600278 (CHEMBL5178754) Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2cnn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600269 (CHEMBL5208065) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2ccn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600272 (CHEMBL5204270) Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2c(c1)ncn(C(C(=O)Nc1nccs1)c1ccccc1)c2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600265 (CHEMBL5187605) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2CCN(C(C(=O)Nc3nccs3)c3cccc(F)c3)C(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600276 (CHEMBL5200988) Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2c(cnn(C(C(=O)Nc3nccs3)c3ccccc3)c2=O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600277 (CHEMBL5206436) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2cnn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50600275 (CHEMBL5207462) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2c(cnn(C(C(=O)Nc3nccs3)c3ccccc3)c2=O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128718 BindingDB Entry DOI: 10.7270/Q2WQ07V1
					More data for this Ligand-Target Pair