BDBM50242360 CHEMBL4069575

SMILES: CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C

InChI Key: InChIKey=KZSYSYPLRUUKEU-MUUNZHRXSA-N

Data: 10 KI

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 10 hits for monomerid = 50242360   

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
Thrombin and coagulation factor VII (Homo sapiens (Human))	BDBM50242360 (CHEMBL4069575) Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ...				Bioorg Med Chem Lett 27: 2650-2654 (2017) Article DOI: 10.1016/j.bmcl.2017.04.008 BindingDB Entry DOI: 10.7270/Q29P3420
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thrombin and coagulation factor VII (Homo sapiens (Human))	BDBM50242360 (CHEMBL4069575) Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ...				Bioorg Med Chem Lett 27: 2650-2654 (2017) Article DOI: 10.1016/j.bmcl.2017.04.008 BindingDB Entry DOI: 10.7270/Q29P3420
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kallikrein 1 (Homo sapiens (Human))	BDBM50242360 (CHEMBL4069575) Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Tissue Kallikrein (unknown origin) using H-D-Val-Leu-Arg-AFC as substrate				Bioorg Med Chem Lett 27: 2650-2654 (2017) Article DOI: 10.1016/j.bmcl.2017.04.008 BindingDB Entry DOI: 10.7270/Q29P3420
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50242360 (CHEMBL4069575) Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of tissue factor/factor 7a activated human coagulation factor-10a using S2765 as substrate pretreated with substrate for 15 mins followed ...				Bioorg Med Chem Lett 27: 2650-2654 (2017) Article DOI: 10.1016/j.bmcl.2017.04.008 BindingDB Entry DOI: 10.7270/Q29P3420
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50242360 (CHEMBL4069575) Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of plasma kallikrein (unknown origin)				Bioorg Med Chem Lett 27: 2650-2654 (2017) Article DOI: 10.1016/j.bmcl.2017.04.008 BindingDB Entry DOI: 10.7270/Q29P3420
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50242360 (CHEMBL4069575) Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of TPA (unknown origin)				Bioorg Med Chem Lett 27: 2650-2654 (2017) Article DOI: 10.1016/j.bmcl.2017.04.008 BindingDB Entry DOI: 10.7270/Q29P3420
					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50242360 (CHEMBL4069575) Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of activated protein C (unknown origin)				Bioorg Med Chem Lett 27: 2650-2654 (2017) Article DOI: 10.1016/j.bmcl.2017.04.008 BindingDB Entry DOI: 10.7270/Q29P3420
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50242360 (CHEMBL4069575) Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem Lett 27: 2650-2654 (2017) Article DOI: 10.1016/j.bmcl.2017.04.008 BindingDB Entry DOI: 10.7270/Q29P3420
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50242360 (CHEMBL4069575) Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of plasmin (unknown origin)				Bioorg Med Chem Lett 27: 2650-2654 (2017) Article DOI: 10.1016/j.bmcl.2017.04.008 BindingDB Entry DOI: 10.7270/Q29P3420
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor (Homo sapiens (Human))	BDBM50242360 (CHEMBL4069575) Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of urokinase (unknown origin)				Bioorg Med Chem Lett 27: 2650-2654 (2017) Article DOI: 10.1016/j.bmcl.2017.04.008 BindingDB Entry DOI: 10.7270/Q29P3420
					More data for this Ligand-Target Pair