BDBM50314076 5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamine::CHEMBL1093099::US9422297, AAG-148-43

SMILES: Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21

InChI Key: InChIKey=DXZCXZCCPLYVDG-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50314076   

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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of the Holy Ghost US Patent					Assay Description Inhibition of various kinase enzyme.				US Patent US9422297 (2016) BindingDB Entry DOI: 10.7270/Q2MC8XX9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of the Holy Ghost US Patent					Assay Description Inhibition of various kinase enzyme.				US Patent US9422297 (2016) BindingDB Entry DOI: 10.7270/Q2MC8XX9
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of the Holy Ghost US Patent					Assay Description Inhibition of various kinase enzyme.				US Patent US9422297 (2016) BindingDB Entry DOI: 10.7270/Q2MC8XX9
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of the Holy Ghost US Patent					Assay Description Inhibition of various kinase enzyme.				US Patent US9422297 (2016) BindingDB Entry DOI: 10.7270/Q2MC8XX9
					More data for this Ligand-Target Pair
Thymidylate Synthase (TS) (Escherichia coli)	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of the Holy Ghost US Patent					Assay Description Inhibition of various kinase enzyme.				US Patent US9422297 (2016) BindingDB Entry DOI: 10.7270/Q2MC8XX9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human DHFR				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR1 in human A498 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta in human SF539 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Flt3 activity in human MV 3:11 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50314076 (5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21 Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by phosphotyrosine cell-based ELISA				J Med Chem 53: 1563-78 (2010) Article DOI: 10.1021/jm9011142 BindingDB Entry DOI: 10.7270/Q2SX6F6D
					More data for this Ligand-Target Pair