Compile Data Set for Download or QSAR

Found 503 hits with Last Name = 'merchant' and Initial = 'm'   

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
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50580084 (CHEMBL5075174) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50580083 (CHEMBL5094268) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1NC(=O)c1cccc2c(N)ncnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50580082 (CHEMBL5079215) Show SMILES CN(C(=O)Nc1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C)c1cc(N)ncn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50557772 (CHEMBL4775998) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1-c1ccc2cc(N)ncc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50580080 (CHEMBL5090624) Show SMILES COc1n[nH]c2ncc(NC(=O)c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)cc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50557775 (CHEMBL4758903) Show SMILES Cc1cc(F)c(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1-c1ccc2c(cnn(C)c2=O)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50557773 (CHEMBL4778772) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1-c1ccc2c(cnn(C)c2=O)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50557774 (CHEMBL4776565) Show SMILES Cc1cc(F)c(cc1-c1ccc2c(cnn(C)c2=O)c1)C(=O)NCCCC(C)(C)C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50580081 (CHEMBL5094514) Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50096279 (CHEMBL3577124) Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50557770 (CHEMBL4780060) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50096279 (CHEMBL3577124) Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50557770 (CHEMBL4780060) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50557776 (CHEMBL4778419) Show SMILES Cc1cc(F)c(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1-c1cnc2c(cnn(C)c2=O)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50557775 (CHEMBL4758903) Show SMILES Cc1cc(F)c(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1-c1ccc2c(cnn(C)c2=O)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 9...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50557770 (CHEMBL4780060) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	<0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 9...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50557772 (CHEMBL4775998) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1-c1ccc2cc(N)ncc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 9...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50557773 (CHEMBL4778772) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1-c1ccc2c(cnn(C)c2=O)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 9...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50580081 (CHEMBL5094514) Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50580082 (CHEMBL5079215) Show SMILES CN(C(=O)Nc1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C)c1cc(N)ncn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50580083 (CHEMBL5094268) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1NC(=O)c1cccc2c(N)ncnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50580084 (CHEMBL5075174) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50557770 (CHEMBL4780060) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	<0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50557771 (CHEMBL4740241) Show SMILES CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(=O)n(C)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50557771 (CHEMBL4740241) Show SMILES CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(=O)n(C)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 9...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50557774 (CHEMBL4776565) Show SMILES Cc1cc(F)c(cc1-c1ccc2c(cnn(C)c2=O)c1)C(=O)NCCCC(C)(C)C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 9...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50096279 (CHEMBL3577124) Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50096279 (CHEMBL3577124) Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 9...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50580080 (CHEMBL5090624) Show SMILES COc1n[nH]c2ncc(NC(=O)c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)cc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50557776 (CHEMBL4778419) Show SMILES Cc1cc(F)c(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1-c1cnc2c(cnn(C)c2=O)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 9...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498973 (CHEMBL3734934) Show SMILES CC(C)n1c(CO)nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)[C@H](F)C3)cc12 |r| Show InChI InChI=1S/C19H24FN7O2/c1-11(2)27-14-7-17(22-8-13(14)23-18(27)10-28)24-16-3-5-21-19(25-16)26-6-4-15(29)12(20)9-26/h3,5,7-8,11-12,15,28-29H,4,6,9-10H2,1-2H3,(H,21,22,24,25)/t12-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EGFR using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substrate measured afte...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498986 (CHEMBL3736121) Show SMILES CO[C@H]1CCN(C[C@H]1F)c1nccc(Nc2cc3n([C@H](C)C(F)(F)F)c(nc3cn2)[C@@H](C)O)n1 |r| Show InChI InChI=1S/C21H25F4N7O2/c1-11(33)19-28-14-9-27-18(8-15(14)32(19)12(2)21(23,24)25)29-17-4-6-26-20(30-17)31-7-5-16(34-3)13(22)10-31/h4,6,8-9,11-13,16,33H,5,7,10H2,1-3H3,(H,26,27,29,30)/t11-,12-,13-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498974 (CHEMBL3734988) Show SMILES C[C@@H](O)c1nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)[C@H](F)C3)cc2n1[C@H](C)C(F)(F)F |r| Show InChI InChI=1S/C20H23F4N7O2/c1-10(32)18-27-13-8-26-17(7-14(13)31(18)11(2)20(22,23)24)28-16-3-5-25-19(29-16)30-6-4-15(33)12(21)9-30/h3,5,7-8,10-12,15,32-33H,4,6,9H2,1-2H3,(H,25,26,28,29)/t10-,11-,12-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498976 (CHEMBL3736183) Show SMILES CO[C@H]1CCN(C[C@H]1F)c1nccc(Nc2cc3n(C(C)C)c(C)nc3cn2)n1 |r| Show InChI InChI=1S/C20H26FN7O/c1-12(2)28-13(3)24-15-10-23-19(9-16(15)28)25-18-5-7-22-20(26-18)27-8-6-17(29-4)14(21)11-27/h5,7,9-10,12,14,17H,6,8,11H2,1-4H3,(H,22,23,25,26)/t14-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(4) dopamine receptor (RAT)	BDBM50051563 (4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 279: 1392-403 (1996) BindingDB Entry DOI: 10.7270/Q2SQ8XX9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498989 (CHEMBL3734933) Show SMILES CO[C@H]1CCN(C[C@H]1F)c1nccc(Nc2cc3n(C(C)C)c(CO)nc3cn2)n1 |r| Show InChI InChI=1S/C20H26FN7O2/c1-12(2)28-15-8-18(23-9-14(15)24-19(28)11-29)25-17-4-6-22-20(26-17)27-7-5-16(30-3)13(21)10-27/h4,6,8-9,12-13,16,29H,5,7,10-11H2,1-3H3,(H,22,23,25,26)/t13-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498974 (CHEMBL3734988) Show SMILES C[C@@H](O)c1nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)[C@H](F)C3)cc2n1[C@H](C)C(F)(F)F |r| Show InChI InChI=1S/C20H23F4N7O2/c1-10(32)18-27-13-8-26-17(7-14(13)31(18)11(2)20(22,23)24)28-16-3-5-25-19(29-16)30-6-4-15(33)12(21)9-30/h3,5,7-8,10-12,15,32-33H,4,6,9H2,1-2H3,(H,25,26,28,29)/t10-,11-,12-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/del (746 to 750) deletion mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by additi...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498986 (CHEMBL3736121) Show SMILES CO[C@H]1CCN(C[C@H]1F)c1nccc(Nc2cc3n([C@H](C)C(F)(F)F)c(nc3cn2)[C@@H](C)O)n1 |r| Show InChI InChI=1S/C21H25F4N7O2/c1-11(33)19-28-14-9-27-18(8-15(14)32(19)12(2)21(23,24)25)29-17-4-6-26-20(30-17)31-7-5-16(34-3)13(22)10-31/h4,6,8-9,11-13,16,33H,5,7,10H2,1-3H3,(H,26,27,29,30)/t11-,12-,13-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/del (746 to 750) deletion mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by additi...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498990 (CHEMBL3735474) Show SMILES CO[C@H]1CCN(CC1(F)F)c1nccc(Nc2cc3n(C(C)C)c(CO)nc3cn2)n1 |r| Show InChI InChI=1S/C20H25F2N7O2/c1-12(2)29-14-8-17(24-9-13(14)25-18(29)10-30)26-16-4-6-23-19(27-16)28-7-5-15(31-3)20(21,22)11-28/h4,6,8-9,12,15,30H,5,7,10-11H2,1-3H3,(H,23,24,26,27)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498985 (CHEMBL3734786) Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)C(F)(F)C3)cc12 |r| Show InChI InChI=1S/C19H23F2N7O/c1-11(2)28-12(3)24-13-9-23-17(8-14(13)28)25-16-4-6-22-18(26-16)27-7-5-15(29)19(20,21)10-27/h4,6,8-9,11,15,29H,5,7,10H2,1-3H3,(H,22,23,25,26)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50051563 (4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	10.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 279: 1392-403 (1996) BindingDB Entry DOI: 10.7270/Q2SQ8XX9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50499002 (CHEMBL3735958) Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)[C@H](F)C3)cc12 |r| Show InChI InChI=1S/C19H24FN7O/c1-11(2)27-12(3)23-14-9-22-18(8-15(14)27)24-17-4-6-21-19(25-17)26-7-5-16(28)13(20)10-26/h4,6,8-9,11,13,16,28H,5,7,10H2,1-3H3,(H,21,22,24,25)/t13-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498978 (CHEMBL3735250) Show SMILES CCC(C)n1cnc2cnc(Nc3ccnc(n3)N3CCC(CC3)OC)cc12 Show InChI InChI=1S/C20H27N7O/c1-4-14(2)27-13-23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(28-3)7-10-26/h5,8,11-15H,4,6-7,9-10H2,1-3H3,(H,21,22,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498978 (CHEMBL3735250) Show SMILES CCC(C)n1cnc2cnc(Nc3ccnc(n3)N3CCC(CC3)OC)cc12 Show InChI InChI=1S/C20H27N7O/c1-4-14(2)27-13-23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(28-3)7-10-26/h5,8,11-15H,4,6-7,9-10H2,1-3H3,(H,21,22,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498973 (CHEMBL3734934) Show SMILES CC(C)n1c(CO)nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)[C@H](F)C3)cc12 |r| Show InChI InChI=1S/C19H24FN7O2/c1-11(2)27-14-7-17(22-8-13(14)23-18(27)10-28)24-16-3-5-21-19(25-16)26-6-4-15(29)12(20)9-26/h3,5,7-8,11-12,15,28-29H,4,6,9-10H2,1-2H3,(H,21,22,24,25)/t12-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498978 (CHEMBL3735250) Show SMILES CCC(C)n1cnc2cnc(Nc3ccnc(n3)N3CCC(CC3)OC)cc12 Show InChI InChI=1S/C20H27N7O/c1-4-14(2)27-13-23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(28-3)7-10-26/h5,8,11-15H,4,6-7,9-10H2,1-3H3,(H,21,22,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498994 (CHEMBL3735335) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C2CCCCC2)n1 Show InChI InChI=1S/C22H29N7O/c1-30-17-8-11-28(12-9-17)22-23-10-7-20(27-22)26-21-13-19-18(14-24-21)25-15-29(19)16-5-3-2-4-6-16/h7,10,13-17H,2-6,8-9,11-12H2,1H3,(H,23,24,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498977 (CHEMBL3736508) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(C)nc3cn2)n1 Show InChI InChI=1S/C20H27N7O/c1-13(2)27-14(3)23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(28-4)7-10-26/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,21,22,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50499001 (CHEMBL3734877) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(CO)nc3cn2)n1 |@@:2| Show InChI InChI=1S/C20H27N7O2/c1-13(2)27-16-10-18(22-11-15(16)23-19(27)12-28)24-17-4-7-21-20(25-17)26-8-5-14(29-3)6-9-26/h4,7,10-11,13-14,28H,5-6,8-9,12H2,1-3H3,(H,21,22,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498980 (CHEMBL3734825) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C2CCCC2)n1 Show InChI InChI=1S/C21H27N7O/c1-29-16-7-10-27(11-8-16)21-22-9-6-19(26-21)25-20-12-18-17(13-23-20)24-14-28(18)15-4-2-3-5-15/h6,9,12-16H,2-5,7-8,10-11H2,1H3,(H,22,23,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair				3D Structure (crystal)

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