Compile Data Set for Download or QSAR

Found 349 hits with Last Name = 'nakae' and Initial = 's'   

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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM264072 (US20230270730, Compound A-1) Show SMILES CN(CCc1cnn(c1)-c1cc(ccn1)C(=O)N[N+]#[C-])Cc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN6O/c1-22-25-20(28)17-7-9-23-19(11-17)27-14-16(12-24-27)8-10-26(2)13-15-3-5-18(21)6-4-15/h3-7,9,11-12,14H,8,10,13H2,2H3,(H,25,28)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM350231 (US20230270730, Compound A-13) Show SMILES COc1ccc(cc1N(C)c1ccc(Oc2nc(O)c3ccncc3n2)cc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H28N6O3/c1-30-12-14-32(15-13-30)19-6-9-24(34-3)23(16-19)31(2)18-4-7-20(8-5-18)35-26-28-22-17-27-11-10-21(22)25(33)29-26/h4-11,16-17H,12-15H2,1-3H3,(H,28,29,33)	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	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614276 (US20230270730, Compound A-29) Show SMILES NC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NC3CCOCC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F Show InChI	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614317 (US20230270730, Compound D-1) Show SMILES COCCNS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F Show InChI	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614319 (US20230270730, Compound D-3) Show SMILES NC(=O)c1cc(Cc2cccc(NS(=O)(=O)NC[C@H]3CCCO3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F |r| Show InChI	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614347 (US20230270730, Compound E-13) Show SMILES CS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F Show InChI	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM614412 (US20230270730, Compound N-1) Show SMILES CNS(=O)(=O)Nc1nccc(Cn2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2=O)c1F Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM614413 (US20230270730, Compound N-2) Show SMILES CCCNS(=O)(=O)Nc1nccc(Cn2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2=O)c1F Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614413 (US20230270730, Compound N-2) Show SMILES CCCNS(=O)(=O)Nc1nccc(Cn2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2=O)c1F Show InChI	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM614292 (US20230270730, Compound A-44) Show SMILES CCNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOCCO)c(Nc3ccc(I)cc3F)c(F)c2F)c1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM614293 (US20230270730, Compound A-45) Show SMILES CCCNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOCCO)c(Nc3ccc(I)cc3F)c(F)c2F)c1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM614296 (US20230270730, Compound B-1) Show SMILES CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOCCO)c(Nc3ccc(I)cc3F)c(F)c2F)c1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614312 (US20230270730, Compound C-2) Show SMILES COCCNS(=O)(=O)Nc1cc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)ccn1 Show InChI	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614267 (US20230270730, Compound A-20) Show SMILES CCCNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(cc3F)C#C)c(F)c2F)c1F Show InChI	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614269 (US20230270730, Compound A-22) Show SMILES NC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NC3C4COCC34)c2F)c(F)c(F)c1Nc1ccc(I)cc1F Show InChI	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM319594 (US20230270730, Compound A-4) Show SMILES Clc1ccccc1Cn1cnc(c1)-c1cc(ccn1)-c1nn[nH]c1[N+]#[C-] Show InChI InChI=1S/C18H12ClN7/c1-20-18-17(23-25-24-18)12-6-7-21-15(8-12)16-10-26(11-22-16)9-13-4-2-3-5-14(13)19/h2-8,10-11H,9H2,(H,23,24,25)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM350232 (US20230270730, Compound A-14) Show SMILES CCOc1ccc(cc1N(C)c1ccc(Oc2nc(O)c3ccncc3n2)cc1)N1CCN(C)CC1 Show InChI InChI=1S/C27H30N6O3/c1-4-35-25-10-7-20(33-15-13-31(2)14-16-33)17-24(25)32(3)19-5-8-21(9-6-19)36-27-29-23-18-28-12-11-22(23)26(34)30-27/h5-12,17-18H,4,13-16H2,1-3H3,(H,29,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614272 (US20230270730, Compound A-25) Show SMILES CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F Show InChI	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614280 (US20230270730, Compound A-33) Show SMILES COCCNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F Show InChI	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614287 (US20230270730, Compound A-40) Show SMILES CCNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F Show InChI	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM614303 (US20230270730, Compound B-9) Show SMILES NC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NCCO)c2F)c(F)c(F)c1Nc1ccc(I)cc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614342 (US20230270730, Compound E-8) Show SMILES NC(=O)c1cc(Cc2cccc(NS(N)(=O)=O)c2F)c(F)c(F)c1Nc1ccc(I)cc1F Show InChI	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614373 (US20230270730, Compound H-1) Show SMILES CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(SC(F)F)cc3F)c(F)c2F)c1F Show InChI	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614374 (US20230270730, Compound H-2) Show SMILES CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc4sccc4c3)c(F)c2F)c1F Show InChI	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM614375 (US20230270730, Compound H-3) Show SMILES COc1ccc(COc2ccc(F)c(F)c2F)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614377 (US20230270730, Compound H-5) Show SMILES CNS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)n1 Show InChI	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614380 (US20230270730, Compound I-3) Show SMILES NC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NC3CC3)c2F)c(F)cc1Nc1ccc(I)cc1F Show InChI	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614410 (US20230270730, Compound L-1) Show SMILES CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)OC)c(Nc3ccc(I)cc3F)cn2)c1F Show InChI	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614412 (US20230270730, Compound N-1) Show SMILES CNS(=O)(=O)Nc1nccc(Cn2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2=O)c1F Show InChI	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM614415 (US20230270730, Compound P-1) Show SMILES CNS(=O)(=O)Nc1nccc(Cn2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(C)c2=O)c1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614389 (US20230270730, Compound J-8) Show SMILES CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOC)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F Show InChI	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614297 (US20230270730, Compound B-2) Show SMILES CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOCCOC)c(Nc3ccc(I)cc3F)c(F)c2F)c1F Show InChI	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614313 (US20230270730, Compound C-3) Show SMILES CNS(=O)(=O)Nc1cc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)ccn1 Show InChI	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614266 (US20230270730, Compound A-19) Show SMILES CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(C=C)cc3F)c(F)c2F)c1F |$;;;;;;;;;;;;;;;;;;;NH;;;;;;;;;;;;;;;$| Show InChI	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM312293 (US20230270730, Compound A-2) Show SMILES CCCOc1ccnn1-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C12H13N3O3/c1-2-7-18-11-4-6-14-15(11)10-8-9(12(16)17)3-5-13-10/h3-6,8H,2,7H2,1H3,(H,16,17)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM319604 (US20230270730, Compound A-8) Show SMILES FC(F)(F)c1cccc(Cn2cnc(c2)-c2cc(ccn2)-c2c[nH]nn2)c1C(F)(F)F Show InChI InChI=1S/C19H12F6N6/c20-18(21,22)13-3-1-2-12(17(13)19(23,24)25)8-31-9-16(27-10-31)14-6-11(4-5-26-14)15-7-28-30-29-15/h1-7,9-10H,8H2,(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM350231 (US20230270730, Compound A-13) Show SMILES COc1ccc(cc1N(C)c1ccc(Oc2nc(O)c3ccncc3n2)cc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H28N6O3/c1-30-12-14-32(15-13-30)19-6-9-24(34-3)23(16-19)31(2)18-4-7-20(8-5-18)35-26-28-22-17-27-11-10-21(22)25(33)29-26/h4-11,16-17H,12-15H2,1-3H3,(H,28,29,33)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM350232 (US20230270730, Compound A-14) Show SMILES CCOc1ccc(cc1N(C)c1ccc(Oc2nc(O)c3ccncc3n2)cc1)N1CCN(C)CC1 Show InChI InChI=1S/C27H30N6O3/c1-4-35-25-10-7-20(33-15-13-31(2)14-16-33)17-24(25)32(3)19-5-8-21(9-6-19)36-27-29-23-18-28-12-11-22(23)26(34)30-27/h5-12,17-18H,4,13-16H2,1-3H3,(H,29,30,34)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM360431 (US20230270730, Compound A-16) Show SMILES OC(=O)c1ccncc1NC[C@@H]1CCCc2cc(OCCc3ccccc3)ccc12 |r| Show InChI InChI=1S/C25H26N2O3/c28-25(29)23-11-13-26-17-24(23)27-16-20-8-4-7-19-15-21(9-10-22(19)20)30-14-12-18-5-2-1-3-6-18/h1-3,5-6,9-11,13,15,17,20,27H,4,7-8,12,14,16H2,(H,28,29)/t20-/m0/s1	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614271 (US20230270730, Compound A-24) Show SMILES COCC(C)(C)NS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F Show InChI	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614281 (US20230270730, Compound A-34) Show SMILES CC(C)CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F Show InChI	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614285 (US20230270730, Compound A-38) Show SMILES CCS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F Show InChI	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614305 (US20230270730, Compound B-11) Show SMILES NC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NC3CC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1Cl Show InChI	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614315 (US20230270730, Compound C-5) Show SMILES CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3C)c(F)c2F)c1F Show InChI	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614318 (US20230270730, Compound D-2) Show SMILES COCC(C)(C)NS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F Show InChI	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614320 (US20230270730, Compound D-4) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F Show InChI	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614328 (US20230270730, Compound D-11) Show SMILES CNS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NOC)c(Nc3ccc(I)cc3F)c(F)c2F)c1F Show InChI	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614365 (US20230270730, Compound G-2) Show SMILES CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOC)c(Nc3ccc(cc3F)C3CC3)c(F)c2F)c1F Show InChI	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614390 (US20230270730, Compound J-9) Show SMILES COCCNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOC)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F Show InChI	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM614395 (US20230270730, Compound J-14) Show SMILES CCNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F Show InChI	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent									US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q2736W19
					More data for this Ligand-Target Pair

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