BDBM50087636 (R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarbamoyl)-methyl]-3-(1-carbamimidoyl-piperidin-3-yl)-2-phenylmethanesulfonylamino-propionamide; TFA::CHEMBL162443

SMILES: NC(=N)N1CCCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1

InChI Key: InChIKey=CKRQXNYHHJWLPU-LECRGTDLSA-N

Data: 8 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 8 hits for monomerid = 50087636   

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
Trypsin-1 (Homo sapiens (Human))	BDBM50087636 ((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...) Show SMILES NC(=N)N1CCCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1 Show InChI InChI=1S/C24H39N9O5S/c25-23(26)32-10-4-8-17(14-32)12-19(31-39(37,38)15-16-6-2-1-3-7-16)21(35)29-13-20(34)30-18-9-5-11-33(22(18)36)24(27)28/h1-3,6-7,17-19,22,31,36H,4-5,8-15H2,(H3,25,26)(H3,27,28)(H,29,35)(H,30,34)/t17?,18-,19+,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	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
Prothrombin (Homo sapiens (Human))	BDBM50087636 ((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...) Show SMILES NC(=N)N1CCCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1 Show InChI InChI=1S/C24H39N9O5S/c25-23(26)32-10-4-8-17(14-32)12-19(31-39(37,38)15-16-6-2-1-3-7-16)21(35)29-13-20(34)30-18-9-5-11-33(22(18)36)24(27)28/h1-3,6-7,17-19,22,31,36H,4-5,8-15H2,(H3,25,26)(H3,27,28)(H,29,35)(H,30,34)/t17?,18-,19+,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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
Coagulation factor X (Homo sapiens (Human))	BDBM50087636 ((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...) Show SMILES NC(=N)N1CCCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1 Show InChI InChI=1S/C24H39N9O5S/c25-23(26)32-10-4-8-17(14-32)12-19(31-39(37,38)15-16-6-2-1-3-7-16)21(35)29-13-20(34)30-18-9-5-11-33(22(18)36)24(27)28/h1-3,6-7,17-19,22,31,36H,4-5,8-15H2,(H3,25,26)(H3,27,28)(H,29,35)(H,30,34)/t17?,18-,19+,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	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 Coagulation factor X.				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))	BDBM50087636 ((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...) Show SMILES NC(=N)N1CCCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1 Show InChI InChI=1S/C24H39N9O5S/c25-23(26)32-10-4-8-17(14-32)12-19(31-39(37,38)15-16-6-2-1-3-7-16)21(35)29-13-20(34)30-18-9-5-11-33(22(18)36)24(27)28/h1-3,6-7,17-19,22,31,36H,4-5,8-15H2,(H3,25,26)(H3,27,28)(H,29,35)(H,30,34)/t17?,18-,19+,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Inhibition of human VCAM and Ramos cell VLA-4 interaction				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))	BDBM50087636 ((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...) Show SMILES NC(=N)N1CCCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1 Show InChI InChI=1S/C24H39N9O5S/c25-23(26)32-10-4-8-17(14-32)12-19(31-39(37,38)15-16-6-2-1-3-7-16)21(35)29-13-20(34)30-18-9-5-11-33(22(18)36)24(27)28/h1-3,6-7,17-19,22,31,36H,4-5,8-15H2,(H3,25,26)(H3,27,28)(H,29,35)(H,30,34)/t17?,18-,19+,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	919	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
Prothrombin (Homo sapiens (Human))	BDBM50087636 ((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...) Show SMILES NC(=N)N1CCCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1 Show InChI InChI=1S/C24H39N9O5S/c25-23(26)32-10-4-8-17(14-32)12-19(31-39(37,38)15-16-6-2-1-3-7-16)21(35)29-13-20(34)30-18-9-5-11-33(22(18)36)24(27)28/h1-3,6-7,17-19,22,31,36H,4-5,8-15H2,(H3,25,26)(H3,27,28)(H,29,35)(H,30,34)/t17?,18-,19+,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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))	BDBM50087636 ((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...) Show SMILES NC(=N)N1CCCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1 Show InChI InChI=1S/C24H39N9O5S/c25-23(26)32-10-4-8-17(14-32)12-19(31-39(37,38)15-16-6-2-1-3-7-16)21(35)29-13-20(34)30-18-9-5-11-33(22(18)36)24(27)28/h1-3,6-7,17-19,22,31,36H,4-5,8-15H2,(H3,25,26)(H3,27,28)(H,29,35)(H,30,34)/t17?,18-,19+,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	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 Coagulation factor X.				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))	BDBM50087636 ((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...) Show SMILES NC(=N)N1CCCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1 Show InChI InChI=1S/C24H39N9O5S/c25-23(26)32-10-4-8-17(14-32)12-19(31-39(37,38)15-16-6-2-1-3-7-16)21(35)29-13-20(34)30-18-9-5-11-33(22(18)36)24(27)28/h1-3,6-7,17-19,22,31,36H,4-5,8-15H2,(H3,25,26)(H3,27,28)(H,29,35)(H,30,34)/t17?,18-,19+,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	726	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