BDBM50087639 (R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarbamoyl)-methyl]-3-(1-carbamimidoyl-piperidin-4-yl)-2-(2-tetrazol-1-yl-phenylmethanesulfonylamino)-propionamide; TFA::CHEMBL164419

SMILES: NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2ccccc2-n2cnnn2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1

InChI Key: InChIKey=DPHOZKUFKPCNOS-HXIJRHRVSA-N

Data: 1 KI  4 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 5 hits for monomerid = 50087639   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50087639 ((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...) Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2ccccc2-n2cnnn2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1 Show InChI InChI=1S/C25H39N13O5S/c26-24(27)36-10-7-16(8-11-36)12-19(22(40)30-13-21(39)32-18-5-3-9-37(23(18)41)25(28)29)33-44(42,43)14-17-4-1-2-6-20(17)38-15-31-34-35-38/h1-2,4,6,15-16,18-19,23,33,41H,3,5,7-14H2,(H3,26,27)(H3,28,29)(H,30,40)(H,32,39)/t18-,19+,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration of the compound required for classical fast inhibition of cleavage of the chromogenic substrate by human enzyme Coagulation factor X in...				Bioorg Med Chem Lett 10: 745-9 (2000) BindingDB Entry DOI: 10.7270/Q2D50M5R
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50087639 ((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...) Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2ccccc2-n2cnnn2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1 Show InChI InChI=1S/C25H39N13O5S/c26-24(27)36-10-7-16(8-11-36)12-19(22(40)30-13-21(39)32-18-5-3-9-37(23(18)41)25(28)29)33-44(42,43)14-17-4-1-2-6-20(17)38-15-31-34-35-38/h1-2,4,6,15-16,18-19,23,33,41H,3,5,7-14H2,(H3,26,27)(H3,28,29)(H,30,40)(H,32,39)/t18-,19+,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Inhibition of human VCAM binding to VLA-4 of Ramos cells in ELISA				Bioorg Med Chem Lett 10: 745-9 (2000) BindingDB Entry DOI: 10.7270/Q2D50M5R
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50087639 ((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...) Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2ccccc2-n2cnnn2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1 Show InChI InChI=1S/C25H39N13O5S/c26-24(27)36-10-7-16(8-11-36)12-19(22(40)30-13-21(39)32-18-5-3-9-37(23(18)41)25(28)29)33-44(42,43)14-17-4-1-2-6-20(17)38-15-31-34-35-38/h1-2,4,6,15-16,18-19,23,33,41H,3,5,7-14H2,(H3,26,27)(H3,28,29)(H,30,40)(H,32,39)/t18-,19+,23?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				Bioorg Med Chem Lett 10: 745-9 (2000) BindingDB Entry DOI: 10.7270/Q2D50M5R
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50087639 ((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...) Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2ccccc2-n2cnnn2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1 Show InChI InChI=1S/C25H39N13O5S/c26-24(27)36-10-7-16(8-11-36)12-19(22(40)30-13-21(39)32-18-5-3-9-37(23(18)41)25(28)29)33-44(42,43)14-17-4-1-2-6-20(17)38-15-31-34-35-38/h1-2,4,6,15-16,18-19,23,33,41H,3,5,7-14H2,(H3,26,27)(H3,28,29)(H,30,40)(H,32,39)/t18-,19+,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	872	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of human plasmin.				Bioorg Med Chem Lett 10: 745-9 (2000) BindingDB Entry DOI: 10.7270/Q2D50M5R
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50087639 ((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...) Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2ccccc2-n2cnnn2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1 Show InChI InChI=1S/C25H39N13O5S/c26-24(27)36-10-7-16(8-11-36)12-19(22(40)30-13-21(39)32-18-5-3-9-37(23(18)41)25(28)29)33-44(42,43)14-17-4-1-2-6-20(17)38-15-31-34-35-38/h1-2,4,6,15-16,18-19,23,33,41H,3,5,7-14H2,(H3,26,27)(H3,28,29)(H,30,40)(H,32,39)/t18-,19+,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	537	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of human trypsin.				Bioorg Med Chem Lett 10: 745-9 (2000) BindingDB Entry DOI: 10.7270/Q2D50M5R
					More data for this Ligand-Target Pair