BDBM317625 3-(4-{5- Amino-4-[4- (1H-pyrazol-4- yl)-1H-indole- 2-carbonyl]- pyrazol-1-yl}- 3-methyl- phenoxy)- benzonitrile::US10640491, Compound 14::US9624201, Compound 14

SMILES: Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)-c2cn[nH]c2)c1N

InChI Key: InChIKey=GWSLLIVSORPVSL-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 = 317625   

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))	BDBM317625 (3-(4-{5- Amino-4-[4- (1H-pyrazol-4- yl)-1H-indole-...) Show SMILES Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)-c2cn[nH]c2)c1N Show InChI InChI=1S/C29H21N7O2/c1-17-10-21(38-20-5-2-4-18(11-20)13-30)8-9-27(17)36-29(31)24(16-34-36)28(37)26-12-23-22(19-14-32-33-15-19)6-3-7-25(23)35-26/h2-12,14-16,35H,31H2,1H3,(H,32,33)	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	8.38	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))	BDBM317625 (3-(4-{5- Amino-4-[4- (1H-pyrazol-4- yl)-1H-indole-...) Show SMILES Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)-c2cn[nH]c2)c1N Show InChI InChI=1S/C29H21N7O2/c1-17-10-21(38-20-5-2-4-18(11-20)13-30)8-9-27(17)36-29(31)24(16-34-36)28(37)26-12-23-22(19-14-32-33-15-19)6-3-7-25(23)35-26/h2-12,14-16,35H,31H2,1H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.38	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))	BDBM317625 (3-(4-{5- Amino-4-[4- (1H-pyrazol-4- yl)-1H-indole-...) Show SMILES Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)-c2cn[nH]c2)c1N Show InChI InChI=1S/C29H21N7O2/c1-17-10-21(38-20-5-2-4-18(11-20)13-30)8-9-27(17)36-29(31)24(16-34-36)28(37)26-12-23-22(19-14-32-33-15-19)6-3-7-25(23)35-26/h2-12,14-16,35H,31H2,1H3,(H,32,33)	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	8.38	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