BDBM50193822 CHEMBL3972807

SMILES: [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O

InChI Key: InChIKey=ACYSIZUFQATBIE-WJTOECGUSA-N

Data: 4 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 4 hits for monomerid = 50193822   

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
Insulin receptor (Homo sapiens (Human))	BDBM50193822 (CHEMBL3972807) Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21+,25+,26-/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	403	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50193822 (CHEMBL3972807) Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21+,25+,26-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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 ERG				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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50193822 (CHEMBL3972807) Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21+,25+,26-/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	5.80	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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50193822 (CHEMBL3972807) Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21+,25+,26-/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	30	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 NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA				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