BDBM50299488 CHEMBL565467::{4-(1-Benzyl-1H-indazol-5-ylamino)-5-ethyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl}-carbamic acid trans-4-aminocyclohexyl ester

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

InChI Key: InChIKey=XYSQNPURJDRMJW-VRXNAAEZSA-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 = 50299488   

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))	BDBM50299488 (CHEMBL565467 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)O[C@H]1CC[C@H](N)CC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,wU:11.11,wD:14.15,c:5,20,22,t:2,(-3.88,-32.47,;-4.85,-33.66,;-4.3,-35.1,;-2.81,-35.51,;-2.73,-37.06,;-4.18,-37.6,;-5.15,-36.4,;-6.69,-36.47,;-7.4,-37.84,;-6.56,-39.14,;-8.93,-37.92,;-9.64,-39.29,;-8.8,-40.58,;-9.51,-41.95,;-11.05,-42.02,;-11.77,-43.39,;-11.89,-40.72,;-11.18,-39.36,;-1.37,-37.75,;-.08,-36.93,;-.15,-35.39,;-1.52,-34.68,;-1.59,-33.14,;-.29,-32.31,;-.37,-30.78,;.92,-29.94,;2.3,-30.65,;3.74,-30.11,;4.14,-28.62,;5.64,-28.24,;6.72,-29.34,;8.21,-28.95,;8.62,-27.47,;7.53,-26.37,;6.04,-26.76,;4.7,-31.31,;3.85,-32.59,;2.37,-32.19,;1.07,-33.02,)| Show InChI InChI=1S/C29H32N8O2/c1-2-23-25-27(31-17-32-28(25)35-26(23)36-29(38)39-22-11-8-20(30)9-12-22)34-21-10-13-24-19(14-21)15-33-37(24)16-18-6-4-3-5-7-18/h3-7,10,13-15,17,20,22,28H,2,8-9,11-12,16,30H2,1H3,(H,31,32,34)(H,35,36,38)/t20-,22-,28?	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))	BDBM50299488 (CHEMBL565467 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)O[C@H]1CC[C@H](N)CC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,wU:11.11,wD:14.15,c:5,20,22,t:2,(-3.88,-32.47,;-4.85,-33.66,;-4.3,-35.1,;-2.81,-35.51,;-2.73,-37.06,;-4.18,-37.6,;-5.15,-36.4,;-6.69,-36.47,;-7.4,-37.84,;-6.56,-39.14,;-8.93,-37.92,;-9.64,-39.29,;-8.8,-40.58,;-9.51,-41.95,;-11.05,-42.02,;-11.77,-43.39,;-11.89,-40.72,;-11.18,-39.36,;-1.37,-37.75,;-.08,-36.93,;-.15,-35.39,;-1.52,-34.68,;-1.59,-33.14,;-.29,-32.31,;-.37,-30.78,;.92,-29.94,;2.3,-30.65,;3.74,-30.11,;4.14,-28.62,;5.64,-28.24,;6.72,-29.34,;8.21,-28.95,;8.62,-27.47,;7.53,-26.37,;6.04,-26.76,;4.7,-31.31,;3.85,-32.59,;2.37,-32.19,;1.07,-33.02,)| Show InChI InChI=1S/C29H32N8O2/c1-2-23-25-27(31-17-32-28(25)35-26(23)36-29(38)39-22-11-8-20(30)9-12-22)34-21-10-13-24-19(14-21)15-33-37(24)16-18-6-4-3-5-7-18/h3-7,10,13-15,17,20,22,28H,2,8-9,11-12,16,30H2,1H3,(H,31,32,34)(H,35,36,38)/t20-,22-,28?	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	18	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