BDBM50193816 CHEMBL3951972

SMILES: [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3CC(CCCc3c2OC)NCCOC)ncc1Cl)C(N)=O

InChI Key: InChIKey=WUMVPLDHJHJIIB-YLPKYUEMSA-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 = 50193816   

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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50193816 (CHEMBL3951972) Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3CC(CCCc3c2OC)NCCOC)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C27H35ClN6O3/c1-36-11-10-30-18-4-3-5-19-15(13-18)8-9-21(24(19)37-2)32-27-31-14-20(28)26(34-27)33-23-17-7-6-16(12-17)22(23)25(29)35/h6-9,14,16-18,22-23,30H,3-5,10-13H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t16-,17+,18?,22+,23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50193816 (CHEMBL3951972) Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3CC(CCCc3c2OC)NCCOC)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C27H35ClN6O3/c1-36-11-10-30-18-4-3-5-19-15(13-18)8-9-21(24(19)37-2)32-27-31-14-20(28)26(34-27)33-23-17-7-6-16(12-17)22(23)25(29)35/h6-9,14,16-18,22-23,30H,3-5,10-13H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t16-,17+,18?,22+,23-/m1/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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair