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SMILES: Cc1nc2c(F)cc(cc2n1C1COC1)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl

InChI Key: InChIKey=CQHXNOKDYKBAMH-SJLPKXTDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 462171   

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 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM462171 ((Scheme A-11): Preparation of (3R,4R)-4-({5-chloro...) Show SMILES Cc1nc2c(F)cc(cc2n1C1COC1)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl |r| Show InChI InChI=1S/C21H24ClFN6O4S/c1-11-25-20-15(23)5-12(6-17(20)29(11)13-9-33-10-13)19-14(22)7-24-21(27-19)26-16-3-4-28(8-18(16)30)34(2,31)32/h5-7,13,16,18,30H,3-4,8-10H2,1-2H3,(H,24,26,27)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM462171 ((Scheme A-11): Preparation of (3R,4R)-4-({5-chloro...) Show SMILES Cc1nc2c(F)cc(cc2n1C1COC1)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl |r| Show InChI InChI=1S/C21H24ClFN6O4S/c1-11-25-20-15(23)5-12(6-17(20)29(11)13-9-33-10-13)19-14(22)7-24-21(27-19)26-16-3-4-28(8-18(16)30)34(2,31)32/h5-7,13,16,18,30H,3-4,8-10H2,1-2H3,(H,24,26,27)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM462171 ((Scheme A-11): Preparation of (3R,4R)-4-({5-chloro...) Show SMILES Cc1nc2c(F)cc(cc2n1C1COC1)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl |r| Show InChI InChI=1S/C21H24ClFN6O4S/c1-11-25-20-15(23)5-12(6-17(20)29(11)13-9-33-10-13)19-14(22)7-24-21(27-19)26-16-3-4-28(8-18(16)30)34(2,31)32/h5-7,13,16,18,30H,3-4,8-10H2,1-2H3,(H,24,26,27)/t16-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM462171 ((Scheme A-11): Preparation of (3R,4R)-4-({5-chloro...) Show SMILES Cc1nc2c(F)cc(cc2n1C1COC1)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl |r| Show InChI InChI=1S/C21H24ClFN6O4S/c1-11-25-20-15(23)5-12(6-17(20)29(11)13-9-33-10-13)19-14(22)7-24-21(27-19)26-16-3-4-28(8-18(16)30)34(2,31)32/h5-7,13,16,18,30H,3-4,8-10H2,1-2H3,(H,24,26,27)/t16-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair