BDBM377422 Cis-4-(1-(but-2-ynoyl)octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-3-fluoro-9H-carbazole-1-carboxamide (Racemic)::US10266491, Example 115::US10266491, Example 116::US10266491, Example 117::US10266491, Example 126::US10676434, Example 115

SMILES: CC#CC(=O)N1CCCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12

InChI Key:

Data: 5 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 8 hits for monomerid = 377422   

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))	BDBM377422 (Cis-4-(1-(but-2-ynoyl)octahydro-6H-pyrrolo[3,4-b]p...) Show SMILES CC#CC(=O)N1CCCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 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
Curacyte Chemistry GmbH					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 49: 4116-26 (2006) BindingDB Entry DOI: 10.7270/Q26112M3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377422 (Cis-4-(1-(but-2-ynoyl)octahydro-6H-pyrrolo[3,4-b]p...) Show SMILES CC#CC(=O)N1CCCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					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 49: 4116-26 (2006) BindingDB Entry DOI: 10.7270/Q26112M3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377422 (Cis-4-(1-(but-2-ynoyl)octahydro-6H-pyrrolo[3,4-b]p...) Show SMILES CC#CC(=O)N1CCCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					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 49: 4116-26 (2006) BindingDB Entry DOI: 10.7270/Q26112M3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377422 (Cis-4-(1-(but-2-ynoyl)octahydro-6H-pyrrolo[3,4-b]p...) Show SMILES CC#CC(=O)N1CCCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377422 (Cis-4-(1-(but-2-ynoyl)octahydro-6H-pyrrolo[3,4-b]p...) Show SMILES CC#CC(=O)N1CCCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 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 US10676434 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377422 (Cis-4-(1-(but-2-ynoyl)octahydro-6H-pyrrolo[3,4-b]p...) Show SMILES CC#CC(=O)N1CCCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377422 (Cis-4-(1-(but-2-ynoyl)octahydro-6H-pyrrolo[3,4-b]p...) Show SMILES CC#CC(=O)N1CCCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377422 (Cis-4-(1-(but-2-ynoyl)octahydro-6H-pyrrolo[3,4-b]p...) Show SMILES CC#CC(=O)N1CCCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					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 49: 4116-26 (2006) BindingDB Entry DOI: 10.7270/Q26112M3
					More data for this Ligand-Target Pair