BDBM50511376 CHEMBL4516665

SMILES: O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1

InChI Key: InChIKey=HJDMEPOCEJXNJU-UHFFFAOYSA-N

Data: 4 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50511376   

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
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511376 (CHEMBL4516665) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1 Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511376 (CHEMBL4516665) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1 Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase 16 (Homo sapiens (Human))	BDBM50511376 (CHEMBL4516665) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1 Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged STK16 kinase domain (13 to 305 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase GAK (Homo sapiens (Human))	BDBM50511376 (CHEMBL4516665) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1 Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged GAK kinase domain (12 to 347 residues) (unknown origin) ...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511376 (CHEMBL4516665) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1 Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	641	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Inhibition of tracer K5 binding to N-terminal nano luciferase-fused AAK1 (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by N...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511376 (CHEMBL4516665) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1 Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Inhibition of tracer K5 binding to N-terminal nano luciferase-fused BMP2K (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by ...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399
					More data for this Ligand-Target Pair				3D Structure (crystal)
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511376 (CHEMBL4516665) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1 Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Inhibition of AAK1 (unknown origin) using Fos-Nfluc, Cfluc-kinase and rabbit reticulate lysate system after 1 hr by split luciferase assay				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase GAK (Homo sapiens (Human))	BDBM50511376 (CHEMBL4516665) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1 Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Inhibition of tracer K5 binding to N-terminal nano luciferase-fused GAK (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by Na...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 16 (Homo sapiens (Human))	BDBM50511376 (CHEMBL4516665) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1 Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Inhibition of tracer K5 binding to N-terminal nano luciferase-fused STK16 (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by ...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399
					More data for this Ligand-Target Pair