BDBM50001579 CHEMBL3237714

SMILES: C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCN(CC3)C(=O)CO)nc12

InChI Key: InChIKey=ICVHMFOFVOYFPB-IYARVYRRSA-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 = 50001579   

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
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50001579 (CHEMBL3237714) Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCN(CC3)C(=O)CO)nc12 |r,wU:4.7,wD:1.0,(38.73,-67.78,;38.26,-66.31,;39.3,-65.17,;38.83,-63.7,;37.32,-63.38,;36.29,-64.52,;36.76,-65.98,;36.85,-61.92,;37.76,-60.67,;39.29,-60.51,;39.92,-59.1,;39.01,-57.85,;37.48,-58.01,;36.86,-59.41,;35.39,-59.89,;34.04,-59.12,;32.71,-59.9,;32.73,-61.43,;31.4,-62.21,;31.38,-63.74,;32.69,-64.51,;32.68,-66.04,;31.35,-66.8,;30.03,-66.02,;30.04,-64.49,;31.33,-68.34,;29.99,-69.09,;29.97,-70.62,;31.3,-71.41,;32.64,-70.65,;32.66,-69.11,;31.28,-72.95,;29.93,-73.7,;32.6,-73.73,;33.94,-72.98,;34.06,-62.2,;35.38,-61.43,)| Show InChI InChI=1S/C26H31N9O2/c1-17-2-4-18(5-3-17)35-21-15-27-9-8-19(21)20-14-28-26(30-25(20)35)29-22-6-7-23(32-31-22)33-10-12-34(13-11-33)24(37)16-36/h6-9,14-15,17-18,36H,2-5,10-13,16H2,1H3,(H,28,29,30,31)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclin B (unknown origin) using histone H1 as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP				J Med Chem 57: 3430-49 (2014) Article DOI: 10.1021/jm500118j BindingDB Entry DOI: 10.7270/Q2BK1DV4
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM50001579 (CHEMBL3237714) Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCN(CC3)C(=O)CO)nc12 |r,wU:4.7,wD:1.0,(38.73,-67.78,;38.26,-66.31,;39.3,-65.17,;38.83,-63.7,;37.32,-63.38,;36.29,-64.52,;36.76,-65.98,;36.85,-61.92,;37.76,-60.67,;39.29,-60.51,;39.92,-59.1,;39.01,-57.85,;37.48,-58.01,;36.86,-59.41,;35.39,-59.89,;34.04,-59.12,;32.71,-59.9,;32.73,-61.43,;31.4,-62.21,;31.38,-63.74,;32.69,-64.51,;32.68,-66.04,;31.35,-66.8,;30.03,-66.02,;30.04,-64.49,;31.33,-68.34,;29.99,-69.09,;29.97,-70.62,;31.3,-71.41,;32.64,-70.65,;32.66,-69.11,;31.28,-72.95,;29.93,-73.7,;32.6,-73.73,;33.94,-72.98,;34.06,-62.2,;35.38,-61.43,)| Show InChI InChI=1S/C26H31N9O2/c1-17-2-4-18(5-3-17)35-21-15-27-9-8-19(21)20-14-28-26(30-25(20)35)29-22-6-7-23(32-31-22)33-10-12-34(13-11-33)24(37)16-36/h6-9,14-15,17-18,36H,2-5,10-13,16H2,1H3,(H,28,29,30,31)/t17-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP				J Med Chem 57: 3430-49 (2014) Article DOI: 10.1021/jm500118j BindingDB Entry DOI: 10.7270/Q2BK1DV4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50001579 (CHEMBL3237714) Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCN(CC3)C(=O)CO)nc12 |r,wU:4.7,wD:1.0,(38.73,-67.78,;38.26,-66.31,;39.3,-65.17,;38.83,-63.7,;37.32,-63.38,;36.29,-64.52,;36.76,-65.98,;36.85,-61.92,;37.76,-60.67,;39.29,-60.51,;39.92,-59.1,;39.01,-57.85,;37.48,-58.01,;36.86,-59.41,;35.39,-59.89,;34.04,-59.12,;32.71,-59.9,;32.73,-61.43,;31.4,-62.21,;31.38,-63.74,;32.69,-64.51,;32.68,-66.04,;31.35,-66.8,;30.03,-66.02,;30.04,-64.49,;31.33,-68.34,;29.99,-69.09,;29.97,-70.62,;31.3,-71.41,;32.64,-70.65,;32.66,-69.11,;31.28,-72.95,;29.93,-73.7,;32.6,-73.73,;33.94,-72.98,;34.06,-62.2,;35.38,-61.43,)| Show InChI InChI=1S/C26H31N9O2/c1-17-2-4-18(5-3-17)35-21-15-27-9-8-19(21)20-14-28-26(30-25(20)35)29-22-6-7-23(32-31-22)33-10-12-34(13-11-33)24(37)16-36/h6-9,14-15,17-18,36H,2-5,10-13,16H2,1H3,(H,28,29,30,31)/t17-,18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay				J Med Chem 57: 3430-49 (2014) Article DOI: 10.1021/jm500118j BindingDB Entry DOI: 10.7270/Q2BK1DV4
					More data for this Ligand-Target Pair