BDBM50538441 CHEMBL4632471

SMILES: Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCN(CCO)CC2)c(c1)C1CC1

InChI Key: InChIKey=GZNVXAZGAACUQD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50538441   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50538441 (CHEMBL4632471) Show SMILES Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCN(CCO)CC2)c(c1)C1CC1 Show InChI InChI=1S/C32H34N6O2/c1-23-4-5-26(19-25(23)9-11-29-21-33-31-3-2-12-34-38(29)31)32(40)35-28-10-8-27(30(20-28)24-6-7-24)22-37-15-13-36(14-16-37)17-18-39/h2-5,8,10,12,19-21,24,39H,6-7,13-18,22H2,1H3,(H,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 expressed in insect cell microsomes in presence of NADPH by fluorescence assay				ACS Med Chem Lett 11: 491-496 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50538441 (CHEMBL4632471) Show SMILES Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCN(CCO)CC2)c(c1)C1CC1 Show InChI InChI=1S/C32H34N6O2/c1-23-4-5-26(19-25(23)9-11-29-21-33-31-3-2-12-34-38(29)31)32(40)35-28-10-8-27(30(20-28)24-6-7-24)22-37-15-13-36(14-16-37)17-18-39/h2-5,8,10,12,19-21,24,39H,6-7,13-18,22H2,1H3,(H,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human ABL1 assessed as residual activity using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay				ACS Med Chem Lett 11: 491-496 (2020)
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50538441 (CHEMBL4632471) Show SMILES Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCN(CCO)CC2)c(c1)C1CC1 Show InChI InChI=1S/C32H34N6O2/c1-23-4-5-26(19-25(23)9-11-29-21-33-31-3-2-12-34-38(29)31)32(40)35-28-10-8-27(30(20-28)24-6-7-24)22-37-15-13-36(14-16-37)17-18-39/h2-5,8,10,12,19-21,24,39H,6-7,13-18,22H2,1H3,(H,35,40)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human ERG incubated for 4 hrs by competitive fluorescence tracer binding based assay				ACS Med Chem Lett 11: 491-496 (2020)
					More data for this Ligand-Target Pair