BDBM317630 3-{4-[5- Amino-4-(4- cyanomethyl- 1H-indole-2- carbonyl)- pyrazol-1-yl]- 3-methyl- phenoxy}- benzonitrile::US10640491, Compound 20::US9624201, Compound 20

SMILES: Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3c(CC#N)cccc3[nH]2)c1N

InChI Key: InChIKey=IWPIYCRNKUKHCZ-UHFFFAOYSA-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 3 hits for monomerid = 317630   

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))	BDBM317630 (3-{4-[5- Amino-4-(4- cyanomethyl- 1H-indole-2- car...) Show SMILES Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3c(CC#N)cccc3[nH]2)c1N Show InChI InChI=1S/C28H20N6O2/c1-17-12-21(36-20-6-2-4-18(13-20)15-30)8-9-26(17)34-28(31)23(16-32-34)27(35)25-14-22-19(10-11-29)5-3-7-24(22)33-25/h2-9,12-14,16,33H,10,31H2,1H3	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	8.45	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC.; CHUGAI PHARMACEUTICAL CO. US Patent					Assay Description The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of Btk, biotinylated SH2 peptide substrate (Src...				US Patent US9624201 (2017) BindingDB Entry DOI: 10.7270/Q2TQ63NB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM317630 (3-{4-[5- Amino-4-(4- cyanomethyl- 1H-indole-2- car...) Show SMILES Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3c(CC#N)cccc3[nH]2)c1N Show InChI InChI=1S/C28H20N6O2/c1-17-12-21(36-20-6-2-4-18(13-20)15-30)8-9-26(17)34-28(31)23(16-32-34)27(35)25-14-22-19(10-11-29)5-3-7-24(22)33-25/h2-9,12-14,16,33H,10,31H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.45	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))	BDBM317630 (3-{4-[5- Amino-4-(4- cyanomethyl- 1H-indole-2- car...) Show SMILES Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3c(CC#N)cccc3[nH]2)c1N Show InChI InChI=1S/C28H20N6O2/c1-17-12-21(36-20-6-2-4-18(13-20)15-30)8-9-26(17)34-28(31)23(16-32-34)27(35)25-14-22-19(10-11-29)5-3-7-24(22)33-25/h2-9,12-14,16,33H,10,31H2,1H3	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	8.45	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Flouresence...				US Patent US10640491 (2020)
					More data for this Ligand-Target Pair