BDBM50201655 CHEMBL3924245

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

InChI Key: InChIKey=VPSBNPIVVHGVAY-UHFFFAOYSA-N

Data: 3 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 = 50201655   

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
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50201655 (CHEMBL3924245) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C26H33FN6O3S/c1-5-37(35,36)24-15-20(8-9-22(24)33-12-10-31(3)11-13-33)29-26-28-16-21(27)25(30-26)32(4)23-14-19(17-34)7-6-18(23)2/h6-9,14-16,34H,5,10-13,17H2,1-4H3,(H,28,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	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
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50201655 (CHEMBL3924245) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C26H33FN6O3S/c1-5-37(35,36)24-15-20(8-9-22(24)33-12-10-31(3)11-13-33)29-26-28-16-21(27)25(30-26)32(4)23-14-19(17-34)7-6-18(23)2/h6-9,14-16,34H,5,10-13,17H2,1-4H3,(H,28,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	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
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50201655 (CHEMBL3924245) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C26H33FN6O3S/c1-5-37(35,36)24-15-20(8-9-22(24)33-12-10-31(3)11-13-33)29-26-28-16-21(27)25(30-26)32(4)23-14-19(17-34)7-6-18(23)2/h6-9,14-16,34H,5,10-13,17H2,1-4H3,(H,28,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PAK1 phosphorylation in human OVCAR3 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