Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with all data for entry = 50037718   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191431 (5-bromoindirubin-3'-oxime | CHEMBL379494) Show SMILES Oc1[nH]c2ccc(Br)cc2c1-c1[nH]c2ccccc2c1N=O |(-3.06,-37.14,;-2.59,-35.67,;-1.13,-35.19,;-1.13,-33.66,;.01,-32.64,;-.31,-31.14,;-1.78,-30.66,;-2.1,-29.16,;-2.91,-31.69,;-2.59,-33.18,;-3.49,-34.43,;-5.03,-34.43,;-5.94,-35.7,;-7.42,-35.22,;-8.76,-35.99,;-10.1,-35.22,;-10.09,-33.67,;-8.76,-32.9,;-7.43,-33.67,;-5.95,-33.18,;-5.48,-31.71,;-6.52,-30.57,)| Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM7401 ((2 Z,3 E)-6-Bromoindirubin-3 -oxime | (3E)-6-bromo...) Show SMILES Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50132003 ((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...) Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O |(1.71,2.82,;2.18,1.35,;3.65,.86,;3.62,-.68,;4.77,-1.7,;4.44,-3.2,;2.97,-3.66,;1.85,-2.62,;2.18,-1.13,;1.27,.12,;-.27,.12,;-1.18,-1.12,;-2.65,-.64,;-3.96,-1.41,;-5.29,-.64,;-5.29,.9,;-3.96,1.68,;-2.63,.9,;-1.16,1.38,;-.69,2.84,;-1.7,3.98,)| Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191421 (3-(3-(methoxyimino)indolin-2-ylidene)indolin-2-one...) Show SMILES CO\N=C1/C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12 |c:4| Show InChI InChI=1S/C17H13N3O2/c1-22-20-15-11-7-3-5-9-13(11)18-16(15)14-10-6-2-4-8-12(10)19-17(14)21/h2-9,19,21H,1H3/b20-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191448 ((2'Z,3'E)-7-fluoroindirubin-3'-oxime | CHEMBL21217...) Show SMILES Oc1[nH]c2c(F)cccc2c1-c1[nH]c2ccccc2c1N=O |(1.25,-3.26,;1.73,-1.79,;3.19,-1.31,;3.18,.22,;4.32,1.24,;5.79,.77,;4,2.75,;2.53,3.22,;1.4,2.19,;1.72,.7,;.82,-.55,;-.72,-.55,;-1.62,-1.82,;-3.11,-1.34,;-4.45,-2.11,;-5.79,-1.34,;-5.78,.21,;-4.45,.98,;-3.11,.22,;-1.63,.7,;-1.16,2.17,;-2.25,3.26,)| Show InChI InChI=1S/C16H10FN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191394 (2,3'-biindole-2',3(1H,1'H)-dione 3-(O-acetyloxime)...) Show SMILES CC(=O)ON=C1C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12 |w:4.3,c:6| Show InChI InChI=1S/C18H13N3O3/c1-10(22)24-21-16-12-7-3-5-9-14(12)19-17(16)15-11-6-2-4-8-13(11)20-18(15)23/h2-9,20,23H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50191420 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-piperazin-1-yl...) Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCN1CCNCC1 |t:13| Show InChI InChI=1S/C22H22BrN5O2/c23-16-6-3-5-15-18(22(29)26-19(15)16)21-20(14-4-1-2-7-17(14)25-21)27-30-13-12-28-10-8-24-9-11-28/h1-7,24,26,29H,8-13H2/b27-20+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50191436 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-piperazin-1-yl...) Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCC[NH+]1CC[NH2+]CC1 |t:13| Show InChI InChI=1S/C22H22BrN5O2/c23-16-6-3-5-15-18(22(29)26-19(15)16)21-20(14-4-1-2-7-17(14)25-21)27-30-13-12-28-10-8-24-9-11-28/h1-7,24,26,29H,8-13H2/p+2/b27-20+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191418 ((2'Z,3'E)-7-chloroindirubin-3'-oxime | CHEMBL21365...) Show SMILES Oc1[nH]c2c(Cl)cccc2c1-c1[nH]c2ccccc2c1N=O |(1.25,-3.25,;1.71,-1.79,;3.17,-1.31,;3.18,.23,;4.31,1.25,;5.78,.77,;3.99,2.75,;2.53,3.23,;1.39,2.2,;1.71,.71,;.81,-.54,;-.75,-.54,;-1.65,-1.79,;-3.12,-1.32,;-4.45,-2.1,;-5.79,-1.33,;-5.79,.22,;-4.46,.99,;-3.12,.22,;-1.66,.7,;-1.17,2.18,;-2.26,3.27,)| Show InChI InChI=1S/C16H10ClN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191430 ((2'Z,3'E)-1-methyl-7-bromoindirubin-3'-[O-(2-morph...) Show SMILES Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCCN2CCOCC2)c2cccc(Br)c12 |t:5| Show InChI InChI=1S/C23H23BrN4O3/c1-27-22-16(6-4-7-17(22)24)19(23(27)29)21-20(15-5-2-3-8-18(15)25-21)26-31-14-11-28-9-12-30-13-10-28/h2-8,29H,9-14H2,1H3/b26-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191435 ((2'Z,3'E)-1-Methyl-7-bromoindirubin-3'-[O-(2-imida...) Show SMILES Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCCn2ccnc2)c2cccc(Br)c12 |t:5| Show InChI InChI=1S/C22H18BrN5O2/c1-27-21-15(6-4-7-16(21)23)18(22(27)29)20-19(14-5-2-3-8-17(14)25-20)26-30-12-11-28-10-9-24-13-28/h2-10,13,29H,11-12H2,1H3/b26-19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191401 ((2'Z,3' E)-1-methyl-7-bromoindirubin-3'-[O-(2-pyrr...) Show SMILES Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCC[NH+]2CCCC2)c2cccc(Br)c12 |t:5| Show InChI InChI=1S/C23H23BrN4O2/c1-27-22-16(8-6-9-17(22)24)19(23(27)29)21-20(15-7-2-3-10-18(15)25-21)26-30-14-13-28-11-4-5-12-28/h2-3,6-10,29H,4-5,11-14H2,1H3/p+1/b26-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191447 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-diethylaminoet...) Show SMILES CCN(CC)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |c:10| Show InChI InChI=1S/C22H23BrN4O2/c1-3-27(4-2)12-13-29-26-20-14-8-5-6-11-17(14)24-21(20)18-15-9-7-10-16(23)19(15)25-22(18)28/h5-11,25,28H,3-4,12-13H2,1-2H3/b26-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191415 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-pyrrolidin-1-y...) Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCC[NH+]1CCCC1 |t:13| Show InChI InChI=1S/C22H21BrN4O2/c23-16-8-5-7-15-18(22(28)25-19(15)16)21-20(14-6-1-2-9-17(14)24-21)26-29-13-12-27-10-3-4-11-27/h1-2,5-9,25,28H,3-4,10-13H2/p+1/b26-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191429 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-diethylaminoet...) Show SMILES CC[NH+](CC)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |c:10| Show InChI InChI=1S/C22H23BrN4O2/c1-3-27(4-2)12-13-29-26-20-14-8-5-6-11-17(14)24-21(20)18-15-9-7-10-16(23)19(15)25-22(18)28/h5-11,25,28H,3-4,12-13H2,1-2H3/p+1/b26-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191444 ((2'Z,3'E)-1-methyl-7-bromoindirubin-3'-[O-(N,Ndiet...) Show SMILES CCN(CC)C(=O)O\N=C1\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12 |c:10| Show InChI InChI=1S/C22H21BrN4O3/c1-4-27(5-2)22(29)30-25-18-13-9-6-7-12-16(13)24-19(18)17-14-10-8-11-15(23)20(14)26(3)21(17)28/h6-12,28H,4-5H2,1-3H3/b25-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191426 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-imidazol-1-yle...) Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCn1ccnc1 |t:13| Show InChI InChI=1S/C21H16BrN5O2/c22-15-6-3-5-14-17(21(28)25-18(14)15)20-19(13-4-1-2-7-16(13)24-20)26-29-11-10-27-9-8-23-12-27/h1-9,12,25,28H,10-11H2/b26-19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191446 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-morpholin-1-yl...) Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCN1CCOCC1 |t:13| Show InChI InChI=1S/C22H21BrN4O3/c23-16-6-3-5-15-18(22(28)25-19(15)16)21-20(14-4-1-2-7-17(14)24-21)26-30-13-10-27-8-11-29-12-9-27/h1-7,25,28H,8-13H2/b26-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191411 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-dimethylaminoe...) Show SMILES C[NH+](C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |c:8| Show InChI InChI=1S/C20H19BrN4O2/c1-25(2)10-11-27-24-18-12-6-3-4-9-15(12)22-19(18)16-13-7-5-8-14(21)17(13)23-20(16)26/h3-9,23,26H,10-11H2,1-2H3/p+1/b24-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191404 ((2'Z, 3'E)-7-bromoindirubin-3'-[O-(2-pyrrolidin-1-...) Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCN1CCCC1 |t:13| Show InChI InChI=1S/C22H21BrN4O2/c23-16-8-5-7-15-18(22(28)25-19(15)16)21-20(14-6-1-2-9-17(14)24-21)26-29-13-12-27-10-3-4-11-27/h1-2,5-9,25,28H,3-4,10-13H2/b26-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191426 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-imidazol-1-yle...) Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCn1ccnc1 |t:13| Show InChI InChI=1S/C21H16BrN5O2/c22-15-6-3-5-14-17(21(28)25-18(14)15)20-19(13-4-1-2-7-16(13)24-20)26-29-11-10-27-9-8-23-12-27/h1-9,12,25,28H,10-11H2/b26-19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191420 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-piperazin-1-yl...) Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCN1CCNCC1 |t:13| Show InChI InChI=1S/C22H22BrN5O2/c23-16-6-3-5-15-18(22(29)26-19(15)16)21-20(14-4-1-2-7-17(14)25-21)27-30-13-12-28-10-8-24-9-11-28/h1-7,24,26,29H,8-13H2/b27-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191436 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-piperazin-1-yl...) Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCC[NH+]1CC[NH2+]CC1 |t:13| Show InChI InChI=1S/C22H22BrN5O2/c23-16-6-3-5-15-18(22(29)26-19(15)16)21-20(14-4-1-2-7-17(14)25-21)27-30-13-12-28-10-8-24-9-11-28/h1-7,24,26,29H,8-13H2/p+2/b27-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191403 ((2'Z,3'E)-1-methyl-7-bromoindirubin-3'-[O-(2-dieth...) Show SMILES CC[NH+](CC)CCO\N=C1\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12 |c:10| Show InChI InChI=1S/C23H25BrN4O2/c1-4-28(5-2)13-14-30-26-20-15-9-6-7-12-18(15)25-21(20)19-16-10-8-11-17(24)22(16)27(3)23(19)29/h6-12,29H,4-5,13-14H2,1-3H3/p+1/b26-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191437 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-morpholin-1-yl...) Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCC[NH+]1CCOCC1 |t:13| Show InChI InChI=1S/C22H21BrN4O3/c23-16-6-3-5-15-18(22(28)25-19(15)16)21-20(14-4-1-2-7-17(14)24-21)26-30-13-10-27-8-11-29-12-9-27/h1-7,25,28H,8-13H2/p+1/b26-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191429 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-diethylaminoet...) Show SMILES CC[NH+](CC)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |c:10| Show InChI InChI=1S/C22H23BrN4O2/c1-3-27(4-2)12-13-29-26-20-14-8-5-6-11-17(14)24-21(20)18-15-9-7-10-16(23)19(15)25-22(18)28/h5-11,25,28H,3-4,12-13H2,1-2H3/p+1/b26-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191400 ((2'Z,3'E)-1-methyl-7-bromoindirubin-3'-[O-(2-bromo...) Show SMILES Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCCBr)c2cccc(Br)c12 |t:5| Show InChI InChI=1S/C19H15Br2N3O2/c1-24-18-12(6-4-7-13(18)21)15(19(24)25)17-16(23-26-10-9-20)11-5-2-3-8-14(11)22-17/h2-8,25H,9-10H2,1H3/b23-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191395 ((2'Z,3'E)-1-methyl-7-bromoindirubin-3'-[O-(2-pyrro...) Show SMILES Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCCN2CCCC2)c2cccc(Br)c12 |t:5| Show InChI InChI=1S/C23H23BrN4O2/c1-27-22-16(8-6-9-17(22)24)19(23(27)29)21-20(15-7-2-3-10-18(15)25-21)26-30-14-13-28-11-4-5-12-28/h2-3,6-10,29H,4-5,11-14H2,1H3/b26-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191428 ((2'Z,3'E)-1-methyl-7-bromoindirubin-3'-[O-(2-morph...) Show SMILES Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCC[NH+]2CCOCC2)c2cccc(Br)c12 |t:5| Show InChI InChI=1S/C23H23BrN4O3/c1-27-22-16(6-4-7-17(22)24)19(23(27)29)21-20(15-5-2-3-8-18(15)25-21)26-31-14-11-28-9-12-30-13-10-28/h2-8,29H,9-14H2,1H3/p+1/b26-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191399 ((2'Z,3'E)-1-methyl-7-bromoindirubin-3'-[O-(2-dieth...) Show SMILES CCN(CC)CCO\N=C1\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12 |c:10| Show InChI InChI=1S/C23H25BrN4O2/c1-4-28(5-2)13-14-30-26-20-15-9-6-7-12-18(15)25-21(20)19-16-10-8-11-17(24)22(16)27(3)23(19)29/h6-12,29H,4-5,13-14H2,1-3H3/b26-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191422 ((2'Z,3'E)-1-methyl-7-bromoindirubin-3'-[O-(2-dimet...) Show SMILES C[NH+](C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12 |c:8| Show InChI InChI=1S/C21H21BrN4O2/c1-25(2)11-12-28-24-18-13-7-4-5-10-16(13)23-19(18)17-14-8-6-9-15(22)20(14)26(3)21(17)27/h4-10,27H,11-12H2,1-3H3/p+1/b24-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50349806 (INDIRUBIN) Show SMILES O=C1Nc2ccccc2\C1=C1/Nc2ccccc2C1=O Show InChI InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191396 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-dimethylaminoe...) Show SMILES CN(C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |c:8| Show InChI InChI=1S/C20H19BrN4O2/c1-25(2)10-11-27-24-18-12-6-3-4-9-15(12)22-19(18)16-13-7-5-8-14(21)17(13)23-20(16)26/h3-9,23,26H,10-11H2,1-2H3/b24-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191402 ((2'Z,3'E)-1-methyl-7-bromoindirubin-3'-[O-(2-dimet...) Show SMILES CN(C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12 |c:8| Show InChI InChI=1S/C21H21BrN4O2/c1-25(2)11-12-28-24-18-13-7-4-5-10-16(13)23-19(18)17-14-8-6-9-15(22)20(14)26(3)21(17)27/h4-10,27H,11-12H2,1-3H3/b24-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50191401 ((2'Z,3' E)-1-methyl-7-bromoindirubin-3'-[O-(2-pyrr...) Show SMILES Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCC[NH+]2CCCC2)c2cccc(Br)c12 |t:5| Show InChI InChI=1S/C23H23BrN4O2/c1-27-22-16(8-6-9-17(22)24)19(23(27)29)21-20(15-7-2-3-10-18(15)25-21)26-30-14-13-28-11-4-5-12-28/h2-3,6-10,29H,4-5,11-14H2,1H3/p+1/b26-20+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50191395 ((2'Z,3'E)-1-methyl-7-bromoindirubin-3'-[O-(2-pyrro...) Show SMILES Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCCN2CCCC2)c2cccc(Br)c12 |t:5| Show InChI InChI=1S/C23H23BrN4O2/c1-27-22-16(8-6-9-17(22)24)19(23(27)29)21-20(15-7-2-3-10-18(15)25-21)26-30-14-13-28-11-4-5-12-28/h2-3,6-10,29H,4-5,11-14H2,1H3/b26-20+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50191405 ((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834) Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O |(-1.26,-17.11,;-.79,-15.64,;.68,-15.16,;.67,-13.63,;1.81,-12.6,;3.27,-13.08,;1.49,-11.1,;.02,-10.63,;-1.11,-11.66,;-.79,-13.15,;-1.69,-14.4,;-3.23,-14.4,;-4.14,-15.67,;-5.62,-15.19,;-6.96,-15.96,;-8.3,-15.19,;-8.3,-13.64,;-6.96,-12.87,;-5.63,-13.63,;-4.15,-13.15,;-3.67,-11.68,;-4.97,-10.17,)| Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50191422 ((2'Z,3'E)-1-methyl-7-bromoindirubin-3'-[O-(2-dimet...) Show SMILES C[NH+](C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12 |c:8| Show InChI InChI=1S/C21H21BrN4O2/c1-25(2)11-12-28-24-18-13-7-4-5-10-16(13)23-19(18)17-14-8-6-9-15(22)20(14)26(3)21(17)27/h4-10,27H,11-12H2,1-3H3/p+1/b24-18+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191438 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-bromoethyl)oxi...) Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCBr |t:13| Show InChI InChI=1S/C18H13Br2N3O2/c19-8-9-25-23-16-10-4-1-2-7-13(10)21-17(16)14-11-5-3-6-12(20)15(11)22-18(14)24/h1-7,22,24H,8-9H2/b23-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50191396 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-dimethylaminoe...) Show SMILES CN(C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |c:8| Show InChI InChI=1S/C20H19BrN4O2/c1-25(2)10-11-27-24-18-12-6-3-4-9-15(12)22-19(18)16-13-7-5-8-14(21)17(13)23-20(16)26/h3-9,23,26H,10-11H2,1-2H3/b24-18+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50191415 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-pyrrolidin-1-y...) Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCC[NH+]1CCCC1 |t:13| Show InChI InChI=1S/C22H21BrN4O2/c23-16-8-5-7-15-18(22(28)25-19(15)16)21-20(14-6-1-2-9-17(14)24-21)26-29-13-12-27-10-3-4-11-27/h1-2,5-9,25,28H,3-4,10-13H2/p+1/b26-20+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50191411 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-dimethylaminoe...) Show SMILES C[NH+](C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |c:8| Show InChI InChI=1S/C20H19BrN4O2/c1-25(2)10-11-27-24-18-12-6-3-4-9-15(12)22-19(18)16-13-7-5-8-14(21)17(13)23-20(16)26/h3-9,23,26H,10-11H2,1-2H3/p+1/b24-18+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191405 ((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834) Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O |(-1.26,-17.11,;-.79,-15.64,;.68,-15.16,;.67,-13.63,;1.81,-12.6,;3.27,-13.08,;1.49,-11.1,;.02,-10.63,;-1.11,-11.66,;-.79,-13.15,;-1.69,-14.4,;-3.23,-14.4,;-4.14,-15.67,;-5.62,-15.19,;-6.96,-15.96,;-8.3,-15.19,;-8.3,-13.64,;-6.96,-12.87,;-5.63,-13.63,;-4.15,-13.15,;-3.67,-11.68,;-4.97,-10.17,)| Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191398 ((2'Z,3'E)-7-iodoindirubin-3'-oxime | CHEMBL209648) Show SMILES Oc1[nH]c2c(I)cccc2c1-c1[nH]c2ccccc2c1N=O |(26.57,-40.82,;27.04,-39.35,;28.5,-38.87,;28.49,-37.34,;29.64,-36.32,;31.1,-36.79,;29.32,-34.82,;27.85,-34.35,;26.72,-35.37,;27.04,-36.86,;26.14,-38.11,;24.6,-38.11,;23.69,-39.38,;22.21,-38.9,;20.87,-39.67,;19.53,-38.9,;19.53,-37.35,;20.87,-36.58,;22.2,-37.35,;23.68,-36.86,;24.15,-35.38,;23.11,-34.25,)| Show InChI InChI=1S/C16H10IN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191412 ((2'Z,3'E)-7-iodo-1-methylindirubin-3'-oxime | CHEM...) Show SMILES Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(I)c12 |(.69,-3.32,;-.56,-2.41,;-2.02,-2.89,;-2.5,-4.36,;-2.93,-1.65,;-4.46,-1.65,;-5.37,-2.92,;-6.85,-2.45,;-8.19,-3.21,;-9.53,-2.44,;-9.53,-.9,;-8.2,-.12,;-6.86,-.89,;-5.38,-.41,;-4.91,1.07,;-5.95,2.2,;-2.03,-.41,;-2.35,1.09,;-1.22,2.11,;.25,1.64,;.57,.14,;2.03,-.34,;-.57,-.88,)| Show InChI InChI=1S/C17H12IN3O2/c1-21-16-10(6-4-7-11(16)18)13(17(21)22)15-14(20-23)9-5-2-3-8-12(9)19-15/h2-8,19,22H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191409 ((2'Z,3'E)-7-chloro-1-methylindirubin-3'-acetoxime ...) Show SMILES CC(=O)ON=C1C(=Nc2ccccc12)c1c(O)n(C)c2c(Cl)cccc12 |w:4.3,c:6| Show InChI InChI=1S/C19H14ClN3O3/c1-10(24)26-22-16-11-6-3-4-9-14(11)21-17(16)15-12-7-5-8-13(20)18(12)23(2)19(15)25/h3-9,25H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191410 ((Z)-1'-Methyl-1H,1'H-[2,3']biindolylidene-3,2'-dio...) Show SMILES Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2ccccc12 |(24.48,-10.48,;23.22,-9.57,;21.77,-10.04,;21.29,-11.51,;20.87,-8.8,;19.33,-8.8,;18.41,-10.06,;16.94,-9.57,;15.59,-10.34,;14.26,-9.57,;14.26,-8.03,;15.59,-7.26,;16.94,-8.03,;18.41,-7.54,;18.88,-6.09,;17.86,-4.95,;21.77,-7.56,;21.44,-6.07,;22.57,-5.02,;24.04,-5.49,;24.37,-7.01,;23.22,-8.03,)| Show InChI InChI=1S/C17H13N3O2/c1-20-13-9-5-3-7-11(13)14(17(20)21)16-15(19-22)10-6-2-4-8-12(10)18-16/h2-9,18,21H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191417 ((2'Z,3'E)-7-iodoindirubin-3'-methoxime | CHEMBL213...) Show SMILES CO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(I)cccc12 |c:4| Show InChI InChI=1S/C17H12IN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,20,22H,1H3/b21-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191423 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(N,N-diethylcarba...) Show SMILES CCN(CC)C(=O)O\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |c:10| Show InChI InChI=1S/C21H19BrN4O3/c1-3-26(4-2)21(28)29-25-18-12-8-5-6-11-15(12)23-19(18)16-13-9-7-10-14(22)17(13)24-20(16)27/h5-11,24,27H,3-4H2,1-2H3/b25-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50191392 ((2'Z,3'E)-7-bromo-1-methylindirubin-3'-acetoxime |...) Show SMILES CC(=O)ON=C1C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12 |w:4.3,c:6| Show InChI InChI=1S/C19H14BrN3O3/c1-10(24)26-22-16-11-6-3-4-9-14(11)21-17(16)15-12-7-5-8-13(20)18(12)23(2)19(15)25/h3-9,25H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Inhibition of mammalian CDK5/p25				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
					More data for this Ligand-Target Pair

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