BDBM50112351 CHEMBL3609330

SMILES: CCN1c2ccc(F)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12

InChI Key: InChIKey=NQBRFDSRSGHBBK-UHFFFAOYSA-N

Data: 1 IC50  5 Kd

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 6 hits for monomerid = 50112351   

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
Serine/threonine-protein kinase PAK6 (Homo sapiens (Human))	BDBM50112351 (CHEMBL3609330) Show SMILES CCN1c2ccc(F)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:11| Show InChI InChI=1S/C20H22ClFN4/c1-3-26-18-6-4-14(21)12-16(18)20(25-10-8-24(2)9-11-25)23-17-13-15(22)5-7-19(17)26/h4-7,12-13H,3,8-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to PAK6 (unknown origin) expressed in HEK293 cells after 1 hr by qPCR analysis				ACS Med Chem Lett 6: 776-81 (2015) BindingDB Entry DOI: 10.7270/Q25X2BQS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50112351 (CHEMBL3609330) Show SMILES CCN1c2ccc(F)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:11| Show InChI InChI=1S/C20H22ClFN4/c1-3-26-18-6-4-14(21)12-16(18)20(25-10-8-24(2)9-11-25)23-17-13-15(22)5-7-19(17)26/h4-7,12-13H,3,8-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to PAK4 (unknown origin) expressed in HEK293 cells after 1 hr by qPCR analysis				ACS Med Chem Lett 6: 776-81 (2015) BindingDB Entry DOI: 10.7270/Q25X2BQS
					More data for this Ligand-Target Pair
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50112351 (CHEMBL3609330) Show SMILES CCN1c2ccc(F)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:11| Show InChI InChI=1S/C20H22ClFN4/c1-3-26-18-6-4-14(21)12-16(18)20(25-10-8-24(2)9-11-25)23-17-13-15(22)5-7-19(17)26/h4-7,12-13H,3,8-11H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	323	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of wild type dephosphorylated form of PAK1 (249 to 545) (unknown origin) expressed in Escherichia coli using 5-Fluo-Ahx-AKRRRLSSLRA-COOH a...				ACS Med Chem Lett 6: 776-81 (2015) BindingDB Entry DOI: 10.7270/Q25X2BQS
					More data for this Ligand-Target Pair				3D Structure (crystal)
p21-Activated kinase 2 (PAK2) (Homo sapiens (Human))	BDBM50112351 (CHEMBL3609330) Show SMILES CCN1c2ccc(F)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:11| Show InChI InChI=1S/C20H22ClFN4/c1-3-26-18-6-4-14(21)12-16(18)20(25-10-8-24(2)9-11-25)23-17-13-15(22)5-7-19(17)26/h4-7,12-13H,3,8-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to PAK2 (unknown origin) expressed in HEK293 cells after 1 hr by qPCR analysis				ACS Med Chem Lett 6: 776-81 (2015) BindingDB Entry DOI: 10.7270/Q25X2BQS
					More data for this Ligand-Target Pair				3D Structure (crystal)
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50112351 (CHEMBL3609330) Show SMILES CCN1c2ccc(F)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:11| Show InChI InChI=1S/C20H22ClFN4/c1-3-26-18-6-4-14(21)12-16(18)20(25-10-8-24(2)9-11-25)23-17-13-15(22)5-7-19(17)26/h4-7,12-13H,3,8-11H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to PAK1 (unknown origin) expressed in HEK293 cells after 1 hr by qPCR analysis				ACS Med Chem Lett 6: 776-81 (2015) BindingDB Entry DOI: 10.7270/Q25X2BQS
					More data for this Ligand-Target Pair				3D Structure (crystal)
p21-Activated kinase 3 (PAK3) (Homo sapiens (Human))	BDBM50112351 (CHEMBL3609330) Show SMILES CCN1c2ccc(F)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:11| Show InChI InChI=1S/C20H22ClFN4/c1-3-26-18-6-4-14(21)12-16(18)20(25-10-8-24(2)9-11-25)23-17-13-15(22)5-7-19(17)26/h4-7,12-13H,3,8-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to PAK3 (unknown origin) expressed in HEK293 cells after 1 hr by qPCR analysis				ACS Med Chem Lett 6: 776-81 (2015) BindingDB Entry DOI: 10.7270/Q25X2BQS
					More data for this Ligand-Target Pair				3D Structure (crystal)