BDBM50540958 CHEMBL4649284

SMILES: Cc1[nH]c2c(ccc(N[C@H]3CCN(C3)C(=O)C#C)c2c1C)C(N)=O

InChI Key: InChIKey=AZJIUEUTLZHHFL-LBPRGKRZSA-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 = 50540958   

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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50540958 (CHEMBL4649284) Show SMILES Cc1[nH]c2c(ccc(N[C@H]3CCN(C3)C(=O)C#C)c2c1C)C(N)=O |r| Show InChI InChI=1S/C18H20N4O2/c1-4-15(23)22-8-7-12(9-22)21-14-6-5-13(18(19)24)17-16(14)10(2)11(3)20-17/h1,5-6,12,20-21H,7-9H2,2-3H3,(H2,19,24)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	9.40	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 BTK in human Ramos B cells assessed as reduction in BCR-stimulated calcium flux after 1 hr in dark condition measured for 180 sec				J Med Chem 62: 3228-3250 (2019)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50540958 (CHEMBL4649284) Show SMILES Cc1[nH]c2c(ccc(N[C@H]3CCN(C3)C(=O)C#C)c2c1C)C(N)=O |r| Show InChI InChI=1S/C18H20N4O2/c1-4-15(23)22-8-7-12(9-22)21-14-6-5-13(18(19)24)17-16(14)10(2)11(3)20-17/h1,5-6,12,20-21H,7-9H2,2-3H3,(H2,19,24)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.40	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 recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019)
					More data for this Ligand-Target Pair