Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'herting' and Initial = 'f'   

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))	BDBM50593227 (CHEMBL5177023) Show SMILES Cc1c(cc(C(F)F)c2cn(nc12)C(C(=O)Nc1nccs1)c1ncn2c1CCC21CC1)C#Cc1ccc(CN2CCC(CO)CC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB 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.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593226 (CHEMBL5184760) Show SMILES Cc1c(cc(C(F)F)c2cn(nc12)C(C(=O)Nc1nccs1)c1ncn2CCCc12)C#Cc1ccc(CN2CCC(CO)CC2)cc1 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593214 (CHEMBL5189574) Show SMILES OCC1CCN(Cc2ccc(cc2)C#Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)C(C(=O)Nc2nccs2)c2ncn3CCCc23)CC1 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	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593204 (CHEMBL5173979) Show SMILES Clc1cccc2C(=O)N(Cc12)C(C(=O)Nc1nccs1)c1ncn2CCCc12 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: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593219 (CHEMBL5202945) Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1cc(Cl)c2cn(nc2c1Cl)C(C(=O)Nc1nccs1)c1ncn2C[C@H](F)Cc12 |r| 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: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593216 (CHEMBL5183324) Show SMILES CC1(C)CCc2c(ncn12)C(N1Cc2c(cc(cc2C(F)F)C#Cc2ccc(CN3CCC(CO)CC3)cc2)C1=O)C(=O)Nc1nccs1 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: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593215 (CHEMBL5184539) Show SMILES OCC1CCN(Cc2ccc(cc2)C#Cc2cc3C(=O)N(Cc3c(c2)C(F)F)C(C(=O)Nc2nccs2)c2ncn3CCCc23)CC1 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: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593212 (CHEMBL5207479) Show SMILES OC1CCN(Cc2ccc(cc2)C#Cc2cc3C(=O)N(Cc3c(F)c2)C(C(=O)Nc2nccs2)c2ncn3CCCc23)CC1 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: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593213 (CHEMBL5180839) Show SMILES OCC1CCN(Cc2ccc(cc2)C#Cc2cc3C(=O)N(Cc3c(F)c2)C(C(=O)Nc2nccs2)c2ncn3CCCc23)CC1 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: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593225 (CHEMBL5193772) Show SMILES OC1CCN(Cc2ccc(cc2)C#Cc2cc(F)c3cn(nc3c2)C(C(=O)Nc2nccs2)c2ncn3CCCc23)CC1 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					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	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593222 (CHEMBL5208056) Show SMILES F[C@@H]1Cc2c(ncn2C1)C(C(=O)Nc1nccs1)n1cc2c(Cl)cc(-c3ccc(cc3)N3CCOCC3)c(Cl)c2n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593210 (CHEMBL5172668) Show SMILES Fc1cc(cc2C(=O)N(Cc12)C(C(=O)Nc1nccs1)c1ncn2CCCc12)C#Cc1ccc(CN2CCCCC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593223 (CHEMBL5193594) Show SMILES Cc1c(cc(C(F)F)c2cn(nc12)C(C(=O)Nc1nccs1)c1ncn2C[C@H](F)Cc12)-c1ccc(cc1)N1CCOCC1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593217 (CHEMBL5180289) Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1cc(F)c2cn(nc2c1)C(C(=O)Nc1nccs1)c1ncn2CCCc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593207 (CHEMBL5189114) Show SMILES Fc1cc(cc2C(=O)N(Cc12)C(C(=O)Nc1nccs1)c1ncn2CCCc12)C#Cc1cccnc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593211 (CHEMBL5187250) Show SMILES OC1CCN(Cc2ccc(cc2)C#Cc2ccc3CN(C(C(=O)Nc4nccs4)c4ncn5CCCc45)C(=O)c3c2)CC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593227 (CHEMBL5177023) Show SMILES Cc1c(cc(C(F)F)c2cn(nc12)C(C(=O)Nc1nccs1)c1ncn2c1CCC21CC1)C#Cc1ccc(CN2CCC(CO)CC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593223 (CHEMBL5193594) Show SMILES Cc1c(cc(C(F)F)c2cn(nc12)C(C(=O)Nc1nccs1)c1ncn2C[C@H](F)Cc12)-c1ccc(cc1)N1CCOCC1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593224 (CHEMBL5170519) Show SMILES Cc1c(cc(C(F)F)c2cn(nc12)C(C(=O)Nc1nccs1)c1ncn2c1CCC21CC1)-c1ccc(cc1)N1CCOCC1 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: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					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	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593218 (CHEMBL5203543) Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1cc(Cl)c2cn(nc2c1Cl)C(C(=O)Nc1nccs1)c1ncn2CCCc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593216 (CHEMBL5183324) Show SMILES CC1(C)CCc2c(ncn12)C(N1Cc2c(cc(cc2C(F)F)C#Cc2ccc(CN3CCC(CO)CC3)cc2)C1=O)C(=O)Nc1nccs1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593213 (CHEMBL5180839) Show SMILES OCC1CCN(Cc2ccc(cc2)C#Cc2cc3C(=O)N(Cc3c(F)c2)C(C(=O)Nc2nccs2)c2ncn3CCCc23)CC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593215 (CHEMBL5184539) Show SMILES OCC1CCN(Cc2ccc(cc2)C#Cc2cc3C(=O)N(Cc3c(c2)C(F)F)C(C(=O)Nc2nccs2)c2ncn3CCCc23)CC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593219 (CHEMBL5202945) Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1cc(Cl)c2cn(nc2c1Cl)C(C(=O)Nc1nccs1)c1ncn2C[C@H](F)Cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593203 (CHEMBL5203388) Show SMILES O=C(Nc1nccs1)C(N1Cc2ccccc2C1=O)c1ncn2CCCc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593209 (CHEMBL5198433) Show SMILES O=C(Nc1nccs1)C(N1Cc2ccc(cc2C1=O)C#Cc1ccc(CN2CCCCC2)cc1)c1ncn2CCCc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593227 (CHEMBL5177023) Show SMILES Cc1c(cc(C(F)F)c2cn(nc12)C(C(=O)Nc1nccs1)c1ncn2c1CCC21CC1)C#Cc1ccc(CN2CCC(CO)CC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593222 (CHEMBL5208056) Show SMILES F[C@@H]1Cc2c(ncn2C1)C(C(=O)Nc1nccs1)n1cc2c(Cl)cc(-c3ccc(cc3)N3CCOCC3)c(Cl)c2n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE 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.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593220 (CHEMBL5207152) Show SMILES F[C@@H]1Cc2c(ncn2C1)C(C(=O)Nc1nccs1)n1cc2c(Cl)cc(-c3ccc(cc3)N3CCN(CC3)C3CC3)c(Cl)c2n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB 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.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593205 (CHEMBL5173986) Show SMILES O=C(Nc1nccs1)C(N1Cc2ccc(cc2C1=O)C#Cc1ccccc1)c1ncn2CCCc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593224 (CHEMBL5170519) Show SMILES Cc1c(cc(C(F)F)c2cn(nc12)C(C(=O)Nc1nccs1)c1ncn2c1CCC21CC1)-c1ccc(cc1)N1CCOCC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593227 (CHEMBL5177023) Show SMILES Cc1c(cc(C(F)F)c2cn(nc12)C(C(=O)Nc1nccs1)c1ncn2c1CCC21CC1)C#Cc1ccc(CN2CCC(CO)CC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593218 (CHEMBL5203543) Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1cc(Cl)c2cn(nc2c1Cl)C(C(=O)Nc1nccs1)c1ncn2CCCc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593221 (CHEMBL5201725) Show SMILES Clc1cc(-c2ccc(cc2)N2CCOCC2)c(Cl)c2nn(cc12)C(C(=O)Nc1nccs1)c1ncn2CCCc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593226 (CHEMBL5184760) Show SMILES Cc1c(cc(C(F)F)c2cn(nc12)C(C(=O)Nc1nccs1)c1ncn2CCCc12)C#Cc1ccc(CN2CCC(CO)CC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593202 (CHEMBL5195669) Show SMILES O=C(Nc1nccs1)C(N1Cc2ccccc2C1=O)c1n[nH]c2CCCc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593214 (CHEMBL5189574) Show SMILES OCC1CCN(Cc2ccc(cc2)C#Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)C(C(=O)Nc2nccs2)c2ncn3CCCc23)CC1 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	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593220 (CHEMBL5207152) Show SMILES F[C@@H]1Cc2c(ncn2C1)C(C(=O)Nc1nccs1)n1cc2c(Cl)cc(-c3ccc(cc3)N3CCN(CC3)C3CC3)c(Cl)c2n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593221 (CHEMBL5201725) Show SMILES Clc1cc(-c2ccc(cc2)N2CCOCC2)c(Cl)c2nn(cc12)C(C(=O)Nc1nccs1)c1ncn2CCCc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593212 (CHEMBL5207479) Show SMILES OC1CCN(Cc2ccc(cc2)C#Cc2cc3C(=O)N(Cc3c(F)c2)C(C(=O)Nc2nccs2)c2ncn3CCCc23)CC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB 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.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB 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.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593210 (CHEMBL5172668) Show SMILES Fc1cc(cc2C(=O)N(Cc12)C(C(=O)Nc1nccs1)c1ncn2CCCc12)C#Cc1ccc(CN2CCCCC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50593217 (CHEMBL5180289) Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1cc(F)c2cn(nc2c1)C(C(=O)Nc1nccs1)c1ncn2CCCc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00893 BindingDB Entry DOI: 10.7270/Q2RN3CVW
					More data for this Ligand-Target Pair				3D Structure (crystal)

Displayed 1 to 50 (of 81 total )  |  Next  |  Last  >>

Jump to: