BDBM166831 US10604504, Example 242::US9688629, 242::US9802915, Example 242::US9920031, Example 242

SMILES: Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O

InChI Key:

Data: 6 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 6 hits for monomerid = 166831   

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))	BDBM166831 (US10604504, Example 242 | US9688629, 242 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9688629 (2017) BindingDB Entry DOI: 10.7270/Q20863G5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM166831 (US10604504, Example 242 | US9688629, 242 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9802915 (2017) BindingDB Entry DOI: 10.7270/Q2JW8H17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM166831 (US10604504, Example 242 | US9688629, 242 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O |r| Show InChI	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	1.60	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))	BDBM166831 (US10604504, Example 242 | US9688629, 242 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10604504 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM166831 (US10604504, Example 242 | US9688629, 242 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O |r| Show InChI	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	0.0700	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM166831 (US10604504, Example 242 | US9688629, 242 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				J Med Chem 50: 4928-38 (2007) BindingDB Entry DOI: 10.7270/Q2474D50
					More data for this Ligand-Target Pair