BDBM50434332 CHEMBL2386716

SMILES: C[C@H](Nc1nccc(Nc2cc(n[nH]2)C2CCC2)n1)c1ccc2[nH]ccc2c1

InChI Key: InChIKey=PVZRBQHDDWNKDW-ZDUSSCGKSA-N

Data: 1 KI  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 4 hits for monomerid = 50434332   

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))	BDBM50434332 (CHEMBL2386716) Show SMILES C[C@H](Nc1nccc(Nc2cc(n[nH]2)C2CCC2)n1)c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C21H23N7/c1-13(15-5-6-17-16(11-15)7-9-22-17)24-21-23-10-8-19(26-21)25-20-12-18(27-28-20)14-3-2-4-14/h5-14,22H,2-4H2,1H3,(H3,23,24,25,26,27,28)/t13-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged PAK1 kinase domain-mediated 5FAM-RRRLSFAEPG phosphorylation expressed in Sf9 cells preincubated for 10 min...				ACS Med Chem Lett 4: 431-2 (2013) Article DOI: 10.1021/ml400101g BindingDB Entry DOI: 10.7270/Q2X068DZ
					More data for this Ligand-Target Pair
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50434332 (CHEMBL2386716) Show SMILES C[C@H](Nc1nccc(Nc2cc(n[nH]2)C2CCC2)n1)c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C21H23N7/c1-13(15-5-6-17-16(11-15)7-9-22-17)24-21-23-10-8-19(26-21)25-20-12-18(27-28-20)14-3-2-4-14/h5-14,22H,2-4H2,1H3,(H3,23,24,25,26,27,28)/t13-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of PAK1-mediated MEK1 phosphorylation at Ser298 in human EBC1 cells after 2 hrs by HTRF assay				ACS Med Chem Lett 4: 431-2 (2013) Article DOI: 10.1021/ml400101g BindingDB Entry DOI: 10.7270/Q2X068DZ
					More data for this Ligand-Target Pair
p21-Activated kinase 3 (PAK3) (Homo sapiens (Human))	BDBM50434332 (CHEMBL2386716) Show SMILES C[C@H](Nc1nccc(Nc2cc(n[nH]2)C2CCC2)n1)c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C21H23N7/c1-13(15-5-6-17-16(11-15)7-9-22-17)24-21-23-10-8-19(26-21)25-20-12-18(27-28-20)14-3-2-4-14/h5-14,22H,2-4H2,1H3,(H3,23,24,25,26,27,28)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of PAK3-mediated MEK1 phosphorylation at Ser298 in human EBC1 cells after 2 hrs by HTRF assay				ACS Med Chem Lett 4: 431-2 (2013) Article DOI: 10.1021/ml400101g BindingDB Entry DOI: 10.7270/Q2X068DZ
					More data for this Ligand-Target Pair
p21-Activated kinase 2 (PAK2) (Homo sapiens (Human))	BDBM50434332 (CHEMBL2386716) Show SMILES C[C@H](Nc1nccc(Nc2cc(n[nH]2)C2CCC2)n1)c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C21H23N7/c1-13(15-5-6-17-16(11-15)7-9-22-17)24-21-23-10-8-19(26-21)25-20-12-18(27-28-20)14-3-2-4-14/h5-14,22H,2-4H2,1H3,(H3,23,24,25,26,27,28)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of PAK2-mediated MEK1 phosphorylation at Ser298 in human EBC1 cells after 2 hrs by HTRF assay				ACS Med Chem Lett 4: 431-2 (2013) Article DOI: 10.1021/ml400101g BindingDB Entry DOI: 10.7270/Q2X068DZ
					More data for this Ligand-Target Pair