BDBM50299491 CHEMBL583403::[4-[[1-(3-fluorophenyl)methyl]-1H-indazol-5-ylamino]-5-ethyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]-carbamic acid,(3S)-3-morpholinylmethyl ester

SMILES: CCC1=C2C(N=C1NC(=O)OC[C@@H]1COCCN1)N=CN=C2Nc1ccc2n(Cc3cccc(F)c3)ncc2c1

InChI Key: InChIKey=IWUDGWPMXMXFFH-LWAJAQLZSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50299491   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50299491 (CHEMBL583403 | [4-[[1-(3-fluorophenyl)methyl]-1H-i...) Show SMILES CCC1=C2C(N=C1NC(=O)OC[C@@H]1COCCN1)N=CN=C2Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 |r,c:5,20,22,t:2| Show InChI InChI=1S/C28H29FN8O3/c1-2-22-24-26(31-16-32-27(24)35-25(22)36-28(38)40-15-21-14-39-9-8-30-21)34-20-6-7-23-18(11-20)12-33-37(23)13-17-4-3-5-19(29)10-17/h3-7,10-12,16,21,27,30H,2,8-9,13-15H2,1H3,(H,31,32,34)(H,35,36,38)/t21-,27?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER1 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50299491 (CHEMBL583403 | [4-[[1-(3-fluorophenyl)methyl]-1H-i...) Show SMILES CCC1=C2C(N=C1NC(=O)OC[C@@H]1COCCN1)N=CN=C2Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 |r,c:5,20,22,t:2| Show InChI InChI=1S/C28H29FN8O3/c1-2-22-24-26(31-16-32-27(24)35-25(22)36-28(38)40-15-21-14-39-9-8-30-21)34-20-6-7-23-18(11-20)12-33-37(23)13-17-4-3-5-19(29)10-17/h3-7,10-12,16,21,27,30H,2,8-9,13-15H2,1H3,(H,31,32,34)(H,35,36,38)/t21-,27?/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair