BDBM50396790 CHEMBL2172745

SMILES: OP(O)(=O)C(=O)NCCNC(=O)c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=FUJJTYSHSJUEIS-UHFFFAOYSA-N

Data: 5 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 = 50396790   

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
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50396790 (CHEMBL2172745) Show SMILES OP(O)(=O)C(=O)NCCNC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H17N2O6P/c19-15(17-10-11-18-16(20)25(21,22)23)12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,19)(H,18,20)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50396790 (CHEMBL2172745) Show SMILES OP(O)(=O)C(=O)NCCNC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H17N2O6P/c19-15(17-10-11-18-16(20)25(21,22)23)12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,19)(H,18,20)(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50396790 (CHEMBL2172745) Show SMILES OP(O)(=O)C(=O)NCCNC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H17N2O6P/c19-15(17-10-11-18-16(20)25(21,22)23)12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,19)(H,18,20)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50396790 (CHEMBL2172745) Show SMILES OP(O)(=O)C(=O)NCCNC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H17N2O6P/c19-15(17-10-11-18-16(20)25(21,22)23)12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,19)(H,18,20)(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50396790 (CHEMBL2172745) Show SMILES OP(O)(=O)C(=O)NCCNC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H17N2O6P/c19-15(17-10-11-18-16(20)25(21,22)23)12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,19)(H,18,20)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair