BDBM50459539 CHEMBL4206734

SMILES: Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cc(ccc12)C(N)=N)-c1ccccc1

InChI Key: InChIKey=FVOAURGQNYSTPO-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50459539   

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 6 (Homo sapiens (Human))	BDBM50459539 (CHEMBL4206734) Show SMILES Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cc(ccc12)C(N)=N)-c1ccccc1 Show InChI InChI=1S/C25H26N6O3/c1-14-20(19-10-9-17(25(26)27)11-21(19)28-14)12-23(33)34-13-22(32)29-24-15(2)30-31(16(24)3)18-7-5-4-6-8-18/h4-11,28H,12-13H2,1-3H3,(H3,26,27)(H,29,32)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center (DKFZ) Curated by ChEMBL					Assay Description Inhibition of KLK6 (unknown origin) expressed in Pichia pastoris pre-incubated for 10 mins before Boc-ValProArg-AMC substrate addition and measured a...				J Med Chem 61: 8859-8874 (2018) Article DOI: 10.1021/acs.jmedchem.8b01106 BindingDB Entry DOI: 10.7270/Q279479B
					More data for this Ligand-Target Pair
Kallikrein 7 (Homo sapiens (Human))	BDBM50459539 (CHEMBL4206734) Show SMILES Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cc(ccc12)C(N)=N)-c1ccccc1 Show InChI InChI=1S/C25H26N6O3/c1-14-20(19-10-9-17(25(26)27)11-21(19)28-14)12-23(33)34-13-22(32)29-24-15(2)30-31(16(24)3)18-7-5-4-6-8-18/h4-11,28H,12-13H2,1-3H3,(H3,26,27)(H,29,32)	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	>500	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center (DKFZ) Curated by ChEMBL					Assay Description Inhibition of KLK7 (unknown origin) expressed in Pichia pastoris pre-incubated for 10 mins before Leu-Leu-Val-Tyr-AMC substrate addition and measured...				J Med Chem 61: 8859-8874 (2018) Article DOI: 10.1021/acs.jmedchem.8b01106 BindingDB Entry DOI: 10.7270/Q279479B
					More data for this Ligand-Target Pair
Kallikrein 14 (Homo sapiens (Human))	BDBM50459539 (CHEMBL4206734) Show SMILES Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cc(ccc12)C(N)=N)-c1ccccc1 Show InChI InChI=1S/C25H26N6O3/c1-14-20(19-10-9-17(25(26)27)11-21(19)28-14)12-23(33)34-13-22(32)29-24-15(2)30-31(16(24)3)18-7-5-4-6-8-18/h4-11,28H,12-13H2,1-3H3,(H3,26,27)(H,29,32)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center (DKFZ) Curated by ChEMBL					Assay Description Inhibition of KLK14 (unknown origin) expressed in Pichia pastoris pre-incubated for 10 mins before Boc-ValProArg-AMC substrate addition and measured ...				J Med Chem 61: 8859-8874 (2018) Article DOI: 10.1021/acs.jmedchem.8b01106 BindingDB Entry DOI: 10.7270/Q279479B
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM50459539 (CHEMBL4206734) Show SMILES Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cc(ccc12)C(N)=N)-c1ccccc1 Show InChI InChI=1S/C25H26N6O3/c1-14-20(19-10-9-17(25(26)27)11-21(19)28-14)12-23(33)34-13-22(32)29-24-15(2)30-31(16(24)3)18-7-5-4-6-8-18/h4-11,28H,12-13H2,1-3H3,(H3,26,27)(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center (DKFZ) Curated by ChEMBL					Assay Description Inhibition of KLK5 (unknown origin) expressed in Pichia pastoris pre-incubated for 10 mins before Boc-ValProArg-AMC substrate addition and measured a...				J Med Chem 61: 8859-8874 (2018) Article DOI: 10.1021/acs.jmedchem.8b01106 BindingDB Entry DOI: 10.7270/Q279479B
					More data for this Ligand-Target Pair
Kallikrein-13 (Homo sapiens)	BDBM50459539 (CHEMBL4206734) Show SMILES Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cc(ccc12)C(N)=N)-c1ccccc1 Show InChI InChI=1S/C25H26N6O3/c1-14-20(19-10-9-17(25(26)27)11-21(19)28-14)12-23(33)34-13-22(32)29-24-15(2)30-31(16(24)3)18-7-5-4-6-8-18/h4-11,28H,12-13H2,1-3H3,(H3,26,27)(H,29,32)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center (DKFZ) Curated by ChEMBL					Assay Description Inhibition of KLK13 (unknown origin) expressed in Pichia pastoris pre-incubated for 10 mins before Boc-ValProArg-AMC substrate addition and measured ...				J Med Chem 61: 8859-8874 (2018) Article DOI: 10.1021/acs.jmedchem.8b01106 BindingDB Entry DOI: 10.7270/Q279479B
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50459539 (CHEMBL4206734) Show SMILES Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cc(ccc12)C(N)=N)-c1ccccc1 Show InChI InChI=1S/C25H26N6O3/c1-14-20(19-10-9-17(25(26)27)11-21(19)28-14)12-23(33)34-13-22(32)29-24-15(2)30-31(16(24)3)18-7-5-4-6-8-18/h4-11,28H,12-13H2,1-3H3,(H3,26,27)(H,29,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center (DKFZ) Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) pre-incubated for 30 mins before N-Boc-FSR-AMC substrate addition and measured after 30 mins				J Med Chem 61: 8859-8874 (2018) Article DOI: 10.1021/acs.jmedchem.8b01106 BindingDB Entry DOI: 10.7270/Q279479B
					More data for this Ligand-Target Pair
Kallikrein 8 (Homo sapiens (Human))	BDBM50459539 (CHEMBL4206734) Show SMILES Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cc(ccc12)C(N)=N)-c1ccccc1 Show InChI InChI=1S/C25H26N6O3/c1-14-20(19-10-9-17(25(26)27)11-21(19)28-14)12-23(33)34-13-22(32)29-24-15(2)30-31(16(24)3)18-7-5-4-6-8-18/h4-11,28H,12-13H2,1-3H3,(H3,26,27)(H,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center (DKFZ) Curated by ChEMBL					Assay Description Inhibition of KLK8 (unknown origin) expressed in Pichia pastoris pre-incubated for 10 mins before Boc-ValProArg-AMC substrate addition and measured a...				J Med Chem 61: 8859-8874 (2018) Article DOI: 10.1021/acs.jmedchem.8b01106 BindingDB Entry DOI: 10.7270/Q279479B
					More data for this Ligand-Target Pair