BDBM6939 4-hydroxy-N-({[3-(4-methoxyphenyl)-4-oxo-2H,4H-indeno[1,2-c]pyrazol-5-yl]carbamoyl}amino)benzamide::acylsemicarbazide deriv. 3aa

SMILES: COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccc(O)cc4)c3C(=O)c12

InChI Key: InChIKey=QBQOHKFVYIDSIJ-UHFFFAOYSA-N

Data: 4 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 = 6939   

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
CDK2/CycE (Homo sapiens (Human))	BDBM6939 (4-hydroxy-N-({[3-(4-methoxyphenyl)-4-oxo-2H,4H-ind...) Show SMILES COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccc(O)cc4)c3C(=O)c12 Show InChI InChI=1S/C25H19N5O5/c1-35-16-11-7-13(8-12-16)21-20-22(28-27-21)17-3-2-4-18(19(17)23(20)32)26-25(34)30-29-24(33)14-5-9-15(31)10-6-14/h2-12,31H,1H3,(H,27,28)(H,29,33)(H2,26,30,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				Bioorg Med Chem Lett 14: 5489-91 (2004) Article DOI: 10.1016/j.bmcl.2004.09.023 BindingDB Entry DOI: 10.7270/Q2SX6BDV
					More data for this Ligand-Target Pair
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM6939 (4-hydroxy-N-({[3-(4-methoxyphenyl)-4-oxo-2H,4H-ind...) Show SMILES COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccc(O)cc4)c3C(=O)c12 Show InChI InChI=1S/C25H19N5O5/c1-35-16-11-7-13(8-12-16)21-20-22(28-27-21)17-3-2-4-18(19(17)23(20)32)26-25(34)30-29-24(33)14-5-9-15(31)10-6-14/h2-12,31H,1H3,(H,27,28)(H,29,33)(H2,26,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Inhibition of CDK5				AAPS J 8: 204-21 (2006) Article DOI: 10.1208/aapsj080125 BindingDB Entry DOI: 10.7270/Q2TX3GBS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM6939 (4-hydroxy-N-({[3-(4-methoxyphenyl)-4-oxo-2H,4H-ind...) Show SMILES COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccc(O)cc4)c3C(=O)c12 Show InChI InChI=1S/C25H19N5O5/c1-35-16-11-7-13(8-12-16)21-20-22(28-27-21)17-3-2-4-18(19(17)23(20)32)26-25(34)30-29-24(33)14-5-9-15(31)10-6-14/h2-12,31H,1H3,(H,27,28)(H,29,33)(H2,26,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Inhibition of CDK2				AAPS J 8: 204-21 (2006) Article DOI: 10.1208/aapsj080125 BindingDB Entry DOI: 10.7270/Q2TX3GBS
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM6939 (4-hydroxy-N-({[3-(4-methoxyphenyl)-4-oxo-2H,4H-ind...) Show SMILES COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccc(O)cc4)c3C(=O)c12 Show InChI InChI=1S/C25H19N5O5/c1-35-16-11-7-13(8-12-16)21-20-22(28-27-21)17-3-2-4-18(19(17)23(20)32)26-25(34)30-29-24(33)14-5-9-15(31)10-6-14/h2-12,31H,1H3,(H,27,28)(H,29,33)(H2,26,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				Bioorg Med Chem Lett 14: 5489-91 (2004) Article DOI: 10.1016/j.bmcl.2004.09.023 BindingDB Entry DOI: 10.7270/Q2SX6BDV
					More data for this Ligand-Target Pair