BDBM316958 N-[2,4-Difluoro-3-(4-methyl- 7H-pyrrolo[2,3-d]pyrimidine- 5-carbonyl)-phenyl]-4- isopropyl- benzenesulfonamide::US9617267, Compound P-1009

SMILES: CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F

InChI Key: InChIKey=SBOWWRAEFKKHTA-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 316958   

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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM316958 (N-[2,4-Difluoro-3-(4-methyl- 7H-pyrrolo[2,3-d]pyri...) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F Show InChI InChI=1S/C23H20F2N4O3S/c1-12(2)14-4-6-15(7-5-14)33(31,32)29-18-9-8-17(24)20(21(18)25)22(30)16-10-26-23-19(16)13(3)27-11-28-23/h4-12,29H,1-3H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Plexxikon Inc. US Patent					Assay Description Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...				US Patent US9617267 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GHS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens (Human))	BDBM316958 (N-[2,4-Difluoro-3-(4-methyl- 7H-pyrrolo[2,3-d]pyri...) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F Show InChI InChI=1S/C23H20F2N4O3S/c1-12(2)14-4-6-15(7-5-14)33(31,32)29-18-9-8-17(24)20(21(18)25)22(30)16-10-26-23-19(16)13(3)27-11-28-23/h4-12,29H,1-3H3,(H,26,27,28)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Plexxikon Inc. US Patent					Assay Description Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...				US Patent US9617267 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GHS
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM316958 (N-[2,4-Difluoro-3-(4-methyl- 7H-pyrrolo[2,3-d]pyri...) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F Show InChI InChI=1S/C23H20F2N4O3S/c1-12(2)14-4-6-15(7-5-14)33(31,32)29-18-9-8-17(24)20(21(18)25)22(30)16-10-26-23-19(16)13(3)27-11-28-23/h4-12,29H,1-3H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Plexxikon Inc. US Patent					Assay Description Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...				US Patent US9617267 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GHS
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM316958 (N-[2,4-Difluoro-3-(4-methyl- 7H-pyrrolo[2,3-d]pyri...) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F Show InChI InChI=1S/C23H20F2N4O3S/c1-12(2)14-4-6-15(7-5-14)33(31,32)29-18-9-8-17(24)20(21(18)25)22(30)16-10-26-23-19(16)13(3)27-11-28-23/h4-12,29H,1-3H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Plexxikon Inc. US Patent					Assay Description The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...				US Patent US9617267 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GHS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM316958 (N-[2,4-Difluoro-3-(4-methyl- 7H-pyrrolo[2,3-d]pyri...) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F Show InChI InChI=1S/C23H20F2N4O3S/c1-12(2)14-4-6-15(7-5-14)33(31,32)29-18-9-8-17(24)20(21(18)25)22(30)16-10-26-23-19(16)13(3)27-11-28-23/h4-12,29H,1-3H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Plexxikon Inc. US Patent					Assay Description The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...				US Patent US9617267 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GHS
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM316958 (N-[2,4-Difluoro-3-(4-methyl- 7H-pyrrolo[2,3-d]pyri...) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F Show InChI InChI=1S/C23H20F2N4O3S/c1-12(2)14-4-6-15(7-5-14)33(31,32)29-18-9-8-17(24)20(21(18)25)22(30)16-10-26-23-19(16)13(3)27-11-28-23/h4-12,29H,1-3H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Plexxikon Inc. US Patent					Assay Description The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...				US Patent US9617267 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GHS
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM316958 (N-[2,4-Difluoro-3-(4-methyl- 7H-pyrrolo[2,3-d]pyri...) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F Show InChI InChI=1S/C23H20F2N4O3S/c1-12(2)14-4-6-15(7-5-14)33(31,32)29-18-9-8-17(24)20(21(18)25)22(30)16-10-26-23-19(16)13(3)27-11-28-23/h4-12,29H,1-3H3,(H,26,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Plexxikon Inc. US Patent					Assay Description The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...				US Patent US9617267 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GHS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM316958 (N-[2,4-Difluoro-3-(4-methyl- 7H-pyrrolo[2,3-d]pyri...) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F Show InChI InChI=1S/C23H20F2N4O3S/c1-12(2)14-4-6-15(7-5-14)33(31,32)29-18-9-8-17(24)20(21(18)25)22(30)16-10-26-23-19(16)13(3)27-11-28-23/h4-12,29H,1-3H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Plexxikon Inc. US Patent					Assay Description The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...				US Patent US9617267 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GHS
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM316958 (N-[2,4-Difluoro-3-(4-methyl- 7H-pyrrolo[2,3-d]pyri...) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F Show InChI InChI=1S/C23H20F2N4O3S/c1-12(2)14-4-6-15(7-5-14)33(31,32)29-18-9-8-17(24)20(21(18)25)22(30)16-10-26-23-19(16)13(3)27-11-28-23/h4-12,29H,1-3H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Plexxikon Inc. US Patent					Assay Description The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...				US Patent US9617267 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GHS
					More data for this Ligand-Target Pair