BDBM50525917 CHEMBL4579813

SMILES: Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1

InChI Key: InChIKey=KRVQMQVYRRLIIY-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 = 50525917   

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
Kallikrein 1 (Homo sapiens (Human))	BDBM50525917 (CHEMBL4579813) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19;/h1-9,11-12,19,26H,10,13H2,(H3,23,24);1H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged and enterokinase cleavage site-fused KLK1 (19 to 262 residues) expressed in baculovirus infecte...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50525917 (CHEMBL4579813) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19;/h1-9,11-12,19,26H,10,13H2,(H3,23,24);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human C-terminal 6-His-tagged KLKB1 (G20-A638 residues) expressed in mouse NS0 cells using PFR-AMC as substrate incubated for 40 mins b...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675
					More data for this Ligand-Target Pair
Kallikrein 7 (Homo sapiens (Human))	BDBM50525917 (CHEMBL4579813) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19;/h1-9,11-12,19,26H,10,13H2,(H3,23,24);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK7 (Glu23 to His252 residues) expressed in mouse NS0 cells using 5-FAM-E-A-L-Y-L-V-S-G-C(5...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675
					More data for this Ligand-Target Pair
Kallikrein 8 (Homo sapiens (Human))	BDBM50525917 (CHEMBL4579813) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19;/h1-9,11-12,19,26H,10,13H2,(H3,23,24);1H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675
					More data for this Ligand-Target Pair
Kallikrein 14 (Homo sapiens (Human))	BDBM50525917 (CHEMBL4579813) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19;/h1-9,11-12,19,26H,10,13H2,(H3,23,24);1H	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK14 (Q19 to M248 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate inc...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor (Homo sapiens (Human))	BDBM50525917 (CHEMBL4579813) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19;/h1-9,11-12,19,26H,10,13H2,(H3,23,24);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged urokinase (M1 to L431 residues) expressed in mouse NS0 cells using Z-GGR-AMC as substrate in...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50525917 (CHEMBL4579813) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19;/h1-9,11-12,19,26H,10,13H2,(H3,23,24);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeOSuc-AAPV-AMC as substrate incubated for 40 mins by FLINT assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50525917 (CHEMBL4579813) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19;/h1-9,11-12,19,26H,10,13H2,(H3,23,24);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged factor Xa (L24 to K488 residues) expressed in baculovirus infected Sf21 insect cells using M...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM50525917 (CHEMBL4579813) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19;/h1-9,11-12,19,26H,10,13H2,(H3,23,24);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM50525917 (CHEMBL4579813) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19;/h1-9,11-12,19,26H,10,13H2,(H3,23,24);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50525917 (CHEMBL4579813) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19;/h1-9,11-12,19,26H,10,13H2,(H3,23,24);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal Met and 6-His-tagged matriptase (G596 to V855 residues) expressed in Escherichia coli using Boc-QAR-AMC as...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50525917 (CHEMBL4579813) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19;/h1-9,11-12,19,26H,10,13H2,(H3,23,24);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal 10-His-tagged thrombin (M1 to E622 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675
					More data for this Ligand-Target Pair