BDBM50201641 CHEMBL3923175

SMILES: CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1

InChI Key: InChIKey=WPFLVPJXKWCRQK-UHFFFAOYSA-N

Data: 10 IC50  2 Kd

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 12 hits for monomerid = 50201641   

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 Fyn (Homo sapiens (Human))	BDBM50201641 (CHEMBL3923175) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-Terminal His6-tagged full length recombinant human FYN expressed in baculovirus expression system				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 2 (Homo sapiens (Human))	BDBM50201641 (CHEMBL3923175) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged recombinant human PAK2 (3-end residues) expressed in Escherichia coli				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50201641 (CHEMBL3923175) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PAK1 phosphorylation in human MCF10A cells				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50201641 (CHEMBL3923175) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged full length recombinant human LCK expressed in baculovirus expression system				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50201641 (CHEMBL3923175) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of C-terminal 6His-tagged recombinant full length human PKCtheta expressed in fall armyworm Sf21 cells				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM50201641 (CHEMBL3923175) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged full length recombinant human YES expressed in baculovirus expression system				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50201641 (CHEMBL3923175) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human PAK1 (S149 to H545 residues) expressed in bacterial expression system by KINOMEscan assay				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50201641 (CHEMBL3923175) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged recombinant full-length human LYN expressed in baculovirus infected Sf21 cells				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50201641 (CHEMBL3923175) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 2 (Homo sapiens (Human))	BDBM50201641 (CHEMBL3923175) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human PAK2 (P151 to R525 residues) expressed in bacterial expression system by KINOMEscan assay				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50201641 (CHEMBL3923175) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant human Src (1 to 530 residues) expressed in baculovirus infected sf21 cells				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50201641 (CHEMBL3923175) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged recombinant human PAK1 (150-end residues) expressed in baculovirus expression system				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair