BDBM50112352 CHEMBL3609371

SMILES: CCN1c2ccc(F)cc2N=C(N[C@H]2CCN(C2)C(=O)NC(C)(C)C)c2cc(Cl)ccc12

InChI Key: InChIKey=NIVBGOGCJSMNMG-KRWDZBQOSA-N

Data: 1 IC50  4 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 5 hits for monomerid = 50112352   

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 PAK 4 (Homo sapiens (Human))	BDBM50112352 (CHEMBL3609371) Show SMILES CCN1c2ccc(F)cc2N=C(N[C@H]2CCN(C2)C(=O)NC(C)(C)C)c2cc(Cl)ccc12 |r,t:11| Show InChI InChI=1S/C24H29ClFN5O/c1-5-31-20-8-6-15(25)12-18(20)22(28-19-13-16(26)7-9-21(19)31)27-17-10-11-30(14-17)23(32)29-24(2,3)4/h6-9,12-13,17H,5,10-11,14H2,1-4H3,(H,27,28)(H,29,32)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	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
p21-Activated kinase 3 (PAK3) (Homo sapiens (Human))	BDBM50112352 (CHEMBL3609371) Show SMILES CCN1c2ccc(F)cc2N=C(N[C@H]2CCN(C2)C(=O)NC(C)(C)C)c2cc(Cl)ccc12 |r,t:11| Show InChI InChI=1S/C24H29ClFN5O/c1-5-31-20-8-6-15(25)12-18(20)22(28-19-13-16(26)7-9-21(19)31)27-17-10-11-30(14-17)23(32)29-24(2,3)4/h6-9,12-13,17H,5,10-11,14H2,1-4H3,(H,27,28)(H,29,32)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	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)
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50112352 (CHEMBL3609371) Show SMILES CCN1c2ccc(F)cc2N=C(N[C@H]2CCN(C2)C(=O)NC(C)(C)C)c2cc(Cl)ccc12 |r,t:11| Show InChI InChI=1S/C24H29ClFN5O/c1-5-31-20-8-6-15(25)12-18(20)22(28-19-13-16(26)7-9-21(19)31)27-17-10-11-30(14-17)23(32)29-24(2,3)4/h6-9,12-13,17H,5,10-11,14H2,1-4H3,(H,27,28)(H,29,32)/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	18	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)
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50112352 (CHEMBL3609371) Show SMILES CCN1c2ccc(F)cc2N=C(N[C@H]2CCN(C2)C(=O)NC(C)(C)C)c2cc(Cl)ccc12 |r,t:11| Show InChI InChI=1S/C24H29ClFN5O/c1-5-31-20-8-6-15(25)12-18(20)22(28-19-13-16(26)7-9-21(19)31)27-17-10-11-30(14-17)23(32)29-24(2,3)4/h6-9,12-13,17H,5,10-11,14H2,1-4H3,(H,27,28)(H,29,32)/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	n/a	9.90	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 2 (PAK2) (Homo sapiens (Human))	BDBM50112352 (CHEMBL3609371) Show SMILES CCN1c2ccc(F)cc2N=C(N[C@H]2CCN(C2)C(=O)NC(C)(C)C)c2cc(Cl)ccc12 |r,t:11| Show InChI InChI=1S/C24H29ClFN5O/c1-5-31-20-8-6-15(25)12-18(20)22(28-19-13-16(26)7-9-21(19)31)27-17-10-11-30(14-17)23(32)29-24(2,3)4/h6-9,12-13,17H,5,10-11,14H2,1-4H3,(H,27,28)(H,29,32)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	n/a	1.10E+3	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)