BDBM50299489 CHEMBL567197::{4-(1-Benzyl-1H-indazol-5-ylamino)-5-ethyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl}-carbamic acid cis-4-amino-4-methylcyclohexyl ester

SMILES: CCC1=C2C(N=C1NC(=O)O[C@H]1CC[C@@](C)(N)CC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1

InChI Key: InChIKey=HVJQYIDZJSEHCZ-QFYVYTDBSA-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 = 50299489   

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))	BDBM50299489 (CHEMBL567197 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)O[C@H]1CC[C@@](C)(N)CC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,wU:11.11,14.16,wD:14.15,c:5,21,23,t:2,(15.77,-33.64,;14.8,-34.84,;15.34,-36.28,;16.84,-36.68,;16.91,-38.23,;15.46,-38.78,;14.49,-37.57,;12.96,-37.65,;12.25,-39.02,;13.09,-40.31,;10.71,-39.09,;10.01,-40.46,;10.84,-41.75,;10.13,-43.12,;8.59,-43.19,;7.05,-43.18,;9.35,-44.52,;7.76,-41.89,;8.47,-40.53,;18.28,-38.93,;19.57,-38.1,;19.49,-36.56,;18.13,-35.85,;18.06,-34.31,;19.35,-33.48,;19.28,-31.95,;20.57,-31.12,;21.94,-31.82,;23.38,-31.28,;23.79,-29.8,;25.28,-29.41,;26.36,-30.51,;27.85,-30.13,;28.26,-28.64,;27.17,-27.54,;25.69,-27.93,;24.34,-32.49,;23.5,-33.77,;22.01,-33.36,;20.72,-34.19,)| Show InChI InChI=1S/C30H34N8O2/c1-3-23-25-27(35-21-9-10-24-20(15-21)16-34-38(24)17-19-7-5-4-6-8-19)32-18-33-28(25)36-26(23)37-29(39)40-22-11-13-30(2,31)14-12-22/h4-10,15-16,18,22,28H,3,11-14,17,31H2,1-2H3,(H,32,33,35)(H,36,37,39)/t22-,28?,30+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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))	BDBM50299489 (CHEMBL567197 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)O[C@H]1CC[C@@](C)(N)CC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,wU:11.11,14.16,wD:14.15,c:5,21,23,t:2,(15.77,-33.64,;14.8,-34.84,;15.34,-36.28,;16.84,-36.68,;16.91,-38.23,;15.46,-38.78,;14.49,-37.57,;12.96,-37.65,;12.25,-39.02,;13.09,-40.31,;10.71,-39.09,;10.01,-40.46,;10.84,-41.75,;10.13,-43.12,;8.59,-43.19,;7.05,-43.18,;9.35,-44.52,;7.76,-41.89,;8.47,-40.53,;18.28,-38.93,;19.57,-38.1,;19.49,-36.56,;18.13,-35.85,;18.06,-34.31,;19.35,-33.48,;19.28,-31.95,;20.57,-31.12,;21.94,-31.82,;23.38,-31.28,;23.79,-29.8,;25.28,-29.41,;26.36,-30.51,;27.85,-30.13,;28.26,-28.64,;27.17,-27.54,;25.69,-27.93,;24.34,-32.49,;23.5,-33.77,;22.01,-33.36,;20.72,-34.19,)| Show InChI InChI=1S/C30H34N8O2/c1-3-23-25-27(35-21-9-10-24-20(15-21)16-34-38(24)17-19-7-5-4-6-8-19)32-18-33-28(25)36-26(23)37-29(39)40-22-11-13-30(2,31)14-12-22/h4-10,15-16,18,22,28H,3,11-14,17,31H2,1-2H3,(H,32,33,35)(H,36,37,39)/t22-,28?,30+	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	20	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