BDBM50175688 (4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone::CHEMBL200027::IKK-16

SMILES: c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)N5CCC(CC5)N6CCCC6

InChI Key: InChIKey=BWZJBXAPRCVCKQ-UHFFFAOYSA-N

Data: 13 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 14 hits for monomerid = 50175688   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase/endoribonuclease IRE1 [547-977] (Human)	BDBM50175688 ((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	7.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein kinase C zeta type (Human)	BDBM50175688 ((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Human)	BDBM50175688 ((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Human)	BDBM50175688 ((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Glycogen synthase kinase 3 (Plasmodium falciparum (isolate 3D7))	BDBM50175688 ((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha/Inhibitor of nuclear factor kappa-B kinase subunit beta/NF-kappa-B essential modulator (Human)	BDBM50175688 ((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Human)	BDBM50175688 ((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha/Inhibitor of nuclear factor kappa-B kinase subunit beta/NF-kappa-B essential modulator (Human)	BDBM50175688 ((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Human)	BDBM50175688 ((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha/Inhibitor of nuclear factor kappa-B kinase subunit beta/NF-kappa-B essential modulator (Human)	BDBM50175688 ((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha/Inhibitor of nuclear factor kappa-B kinase subunit beta/NF-kappa-B essential modulator (Human)	BDBM50175688 ((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha/Inhibitor of nuclear factor kappa-B kinase subunit beta/NF-kappa-B essential modulator (Human)	BDBM50175688 ((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha/Inhibitor of nuclear factor kappa-B kinase subunit beta/NF-kappa-B essential modulator (Human)	BDBM50175688 ((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Human)	BDBM50175688 ((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair